CID 16637095

2-{[5-(4-tert-butylphenyl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Structural Information

Molecular Formula
C20H23N5OS
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN
InChI
InChI=1S/C20H23N5OS/c1-20(2,3)15-11-9-14(10-12-15)18-23-24-19(27-13-17(26)22-21)25(18)16-7-5-4-6-8-16/h4-12H,13,21H2,1-3H3,(H,22,26)
InChIKey
SSWOZPAJPMDHKJ-UHFFFAOYSA-N
Compound name
2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16232 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16960 192.5
[M+Na]+ 404.15154 199.7
[M-H]- 380.15504 198.6
[M+NH4]+ 399.19614 201.9
[M+K]+ 420.12548 193.1
[M+H-H2O]+ 364.15958 182.7
[M+HCOO]- 426.16052 207.5
[M+CH3COO]- 440.17617 221.2
[M+Na-2H]- 402.13699 192.9
[M]+ 381.16177 194.0
[M]- 381.16287 194.0
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.