CID 1150544

N-(4-methoxyphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C17H17N5O2S
SMILES
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=CC=NC=C3
InChI
InChI=1S/C17H17N5O2S/c1-22-16(12-7-9-18-10-8-12)20-21-17(22)25-11-15(23)19-13-3-5-14(24-2)6-4-13/h3-10H,11H2,1-2H3,(H,19,23)
InChIKey
QVVGVKZEIMTUDY-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

355.1103 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11758 181.2
[M+Na]+ 378.09952 194.7
[M+NH4]+ 373.14412 187.1
[M+K]+ 394.07346 188.0
[M-H]- 354.10302 185.0
[M+Na-2H]- 376.08497 189.6
[M]+ 355.10975 184.5
[M]- 355.11085 184.5
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.