CID 2254375

327047-28-9

Structural Information

Molecular Formula
C11H12N4O2S
SMILES
COC1=CC=CC=C1NC(=O)CSC2=NC=NN2
InChI
InChI=1S/C11H12N4O2S/c1-17-9-5-3-2-4-8(9)14-10(16)6-18-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H,14,16)(H,12,13,15)
InChIKey
SUBMITMQHDIQCQ-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

264.06808 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.075356 156.5
[M+Na]+ 287.057298 164.4
[M-H]- 263.060804 158.5
[M+NH4]+ 282.101903 170.3
[M+K]+ 303.031238 160.1
[M+H-H2O]+ 247.065340 147.9
[M+HCOO]- 309.066281 172.9
[M+CH3COO]- 323.081931 191.8
[M+Na-2H]- 285.042746 158.9
[M]+ 264.06753142 158.4
[M]- 264.06862858 158.4
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.