CID 16637091

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

Structural Information

Molecular Formula
C17H16ClN5OS
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClN5OS/c1-11-2-8-14(9-3-11)23-16(12-4-6-13(18)7-5-12)21-22-17(23)25-10-15(24)20-19/h2-9H,10,19H2,1H3,(H,20,24)
InChIKey
RCQBNEPADSUTKS-UHFFFAOYSA-N
Compound name
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.07642 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.08370 185.1
[M+Na]+ 396.06564 194.7
[M-H]- 372.06914 191.5
[M+NH4]+ 391.11024 195.9
[M+K]+ 412.03958 186.8
[M+H-H2O]+ 356.07368 175.8
[M+HCOO]- 418.07462 197.9
[M+CH3COO]- 432.09027 194.9
[M+Na-2H]- 394.05109 184.6
[M]+ 373.07587 188.7
[M]- 373.07697 188.7
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.