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]+ 265.07536 157.3
[M+Na]+ 287.05730 167.9
[M+NH4]+ 282.10190 163.5
[M+K]+ 303.03124 162.6
[M-H]- 263.06080 158.5
[M+Na-2H]- 285.04275 163.2
[M]+ 264.06753 159.3
[M]- 264.06863 159.3
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.