CID 728570

2-[(4,5-diphenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

Structural Information

Molecular Formula
C16H15N5OS
SMILES
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN
InChI
InChI=1S/C16H15N5OS/c17-18-14(22)11-23-16-20-19-15(12-7-3-1-4-8-12)21(16)13-9-5-2-6-10-13/h1-10H,11,17H2,(H,18,22)
InChIKey
WDPSOMKCCCJRCE-UHFFFAOYSA-N
Compound name
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

325.09973 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10701 172.3
[M+Na]+ 348.08895 180.2
[M-H]- 324.09245 178.5
[M+NH4]+ 343.13355 183.7
[M+K]+ 364.06289 173.8
[M+H-H2O]+ 308.09699 162.4
[M+HCOO]- 370.09793 190.3
[M+CH3COO]- 384.11358 182.5
[M+Na-2H]- 346.07440 174.5
[M]+ 325.09918 172.8
[M]- 325.10028 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.