CID 1264928

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

Structural Information

Molecular Formula
C18H19N5O3S
SMILES
CN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)OC)OC)C3=CC=NC=C3
InChI
InChI=1S/C18H19N5O3S/c1-23-17(12-4-6-19-7-5-12)21-22-18(23)27-11-16(24)20-13-8-14(25-2)10-15(9-13)26-3/h4-10H,11H2,1-3H3,(H,20,24)
InChIKey
BAROIQJQYGSUOH-UHFFFAOYSA-N
Compound name
N-(3,5-dimethoxyphenyl)-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

0
References

0
Patents

385.12085 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12813 189.3
[M+Na]+ 408.11007 198.2
[M-H]- 384.11357 195.0
[M+NH4]+ 403.15467 197.7
[M+K]+ 424.08401 192.8
[M+H-H2O]+ 368.11811 178.8
[M+HCOO]- 430.11905 205.1
[M+CH3COO]- 444.13470 219.3
[M+Na-2H]- 406.09552 189.2
[M]+ 385.12030 195.8
[M]- 385.12140 195.8
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.