PubChemLite - 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n'-[(e)-(3-fluorophenyl)methylidene]acetohydrazide (C24H19ClFN5OS)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC(=CC=C3)F)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H19ClFN5OS/c1-16-5-11-21(12-6-16)31-23(18-7-9-19(25)10-8-18)29-30-24(31)33-15-22(32)28-27-14-17-3-2-4-20(26)13-17/h2-14H,15H2,1H3,(H,28,32)/b27-14+

InChIKey

UYVXCLHJORMAMG-MZJWZYIUSA-N

Compound name

2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	480.10558	213.0
[M+Na]+	502.08752	222.4
[M-H]-	478.09102	222.5
[M+NH4]+	497.13212	219.9
[M+K]+	518.06146	212.8
[M+H-H2O]+	462.09556	200.5
[M+HCOO]-	524.09650	225.9
[M+CH3COO]-	538.11215	221.2
[M+Na-2H]-	500.07297	211.6
[M]+	479.09775	218.0
[M]-	479.09885	218.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.10558

213.0

[M+Na]+

502.08752

222.4

[M-H]-

478.09102

222.5

[M+NH4]+

497.13212

219.9

[M+K]+

518.06146

212.8

[M+H-H2O]+

462.09556

200.5

[M+HCOO]-

524.09650

225.9

[M+CH3COO]-

538.11215

221.2

[M+Na-2H]-

500.07297

211.6

[M]+

479.09775

218.0

[M]-

479.09885

218.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n'-[(e)-(3-fluorophenyl)methylidene]acetohydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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