CID 848264

667879-44-9

Structural Information

Molecular Formula
C11H13N5OS
SMILES
CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N
InChI
InChI=1S/C11H13N5OS/c1-7-2-4-8(5-3-7)10-14-15-11(16(10)13)18-6-9(12)17/h2-5H,6,13H2,1H3,(H2,12,17)
InChIKey
ONOGABKUTGXOLH-UHFFFAOYSA-N
Compound name
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.08408 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09136 157.9
[M+Na]+ 286.07330 168.2
[M+NH4]+ 281.11790 164.1
[M+K]+ 302.04724 163.5
[M-H]- 262.07680 160.1
[M+Na-2H]- 284.05875 163.2
[M]+ 263.08353 160.1
[M]- 263.08463 160.1
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.