CID 6887266

N'-[(e)-(5-bromo-2-fluorophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Structural Information

Molecular Formula
C20H19BrFN5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=CC(=C2)Br)F)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H19BrFN5O2S/c1-3-27-19(13-4-7-16(29-2)8-5-13)25-26-20(27)30-12-18(28)24-23-11-14-10-15(21)6-9-17(14)22/h4-11H,3,12H2,1-2H3,(H,24,28)/b23-11+
InChIKey
GOSXMZWHHOTGIC-FOKLQQMPSA-N
Compound name
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.0427 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.04998 200.6
[M+Na]+ 514.03192 203.0
[M+NH4]+ 509.07652 202.2
[M+K]+ 530.00586 201.9
[M-H]- 490.03542 202.2
[M+Na-2H]- 512.01737 203.9
[M]+ 491.04215 200.4
[M]- 491.04325 200.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.