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 156.5
[M+Na]+ 287.05730 164.4
[M-H]- 263.06080 158.5
[M+NH4]+ 282.10190 170.3
[M+K]+ 303.03124 160.1
[M+H-H2O]+ 247.06534 147.9
[M+HCOO]- 309.06628 172.9
[M+CH3COO]- 323.08193 191.8
[M+Na-2H]- 285.04275 158.9
[M]+ 264.06753 158.4
[M]- 264.06863 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.