PubChemLite - 881840-00-2 (C26H23N5O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H23N5O3/c1-18-8-10-19(11-9-18)24-20(17-31(30-24)22-6-4-3-5-7-22)16-27-29-26(33)25(32)28-21-12-14-23(34-2)15-13-21/h3-17H,1-2H3,(H,28,32)(H,29,33)/b27-16+

InChIKey

PCRKRRXDRBXUDM-JVWAILMASA-N

Compound name

N-(4-methoxyphenyl)-N'-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide

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]+	454.18736	209.1
[M+Na]+	476.16930	213.8
[M-H]-	452.17280	221.0
[M+NH4]+	471.21390	215.6
[M+K]+	492.14324	208.4
[M+H-H2O]+	436.17734	196.3
[M+HCOO]-	498.17828	233.5
[M+CH3COO]-	512.19393	240.2
[M+Na-2H]-	474.15475	210.6
[M]+	453.17953	210.6
[M]-	453.18063	210.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.18736

209.1

[M+Na]+

476.16930

213.8

[M-H]-

452.17280

221.0

[M+NH4]+

471.21390

215.6

[M+K]+

492.14324

208.4

[M+H-H2O]+

436.17734

196.3

[M+HCOO]-

498.17828

233.5

[M+CH3COO]-

512.19393

240.2

[M+Na-2H]-

474.15475

210.6

[M]+

453.17953

210.6

[M]-

453.18063

210.6

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

881840-00-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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