CID 7538443

N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-1h-1,2,4-triazol-3-yl]sulfanyl]acetamide

Structural Information

Molecular Formula
C20H22N4OS
SMILES
CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C20H22N4OS/c1-4-15-5-7-16(8-6-15)19-22-20(24-23-19)26-12-18(25)21-17-10-13(2)9-14(3)11-17/h5-11H,4,12H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKey
PSJVIOBOAOSNIY-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

366.15143 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15871 187.9
[M+Na]+ 389.14065 196.1
[M-H]- 365.14415 193.2
[M+NH4]+ 384.18525 198.0
[M+K]+ 405.11459 188.4
[M+H-H2O]+ 349.14869 178.3
[M+HCOO]- 411.14963 202.5
[M+CH3COO]- 425.16528 197.1
[M+Na-2H]- 387.12610 186.2
[M]+ 366.15088 190.3
[M]- 366.15198 190.3
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.