CID 1150608

N-(2-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Structural Information

Molecular Formula
C17H15ClN4OS
SMILES
CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C17H15ClN4OS/c1-12-20-21-17(22(12)13-7-3-2-4-8-13)24-11-16(23)19-15-10-6-5-9-14(15)18/h2-10H,11H2,1H3,(H,19,23)
InChIKey
UVHHVTVOYMQFAH-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.06552 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07280 181.0
[M+Na]+ 381.05474 190.7
[M-H]- 357.05824 187.6
[M+NH4]+ 376.09934 192.7
[M+K]+ 397.02868 183.2
[M+H-H2O]+ 341.06278 171.6
[M+HCOO]- 403.06372 193.4
[M+CH3COO]- 417.07937 191.3
[M+Na-2H]- 379.04019 181.3
[M]+ 358.06497 185.7
[M]- 358.06607 185.7
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.