CID 16227824

3-(4-cyclopropyl-5-sulfanyl-4h-1,2,4-triazol-3-yl)propanamide

Structural Information

Molecular Formula
C8H12N4OS
SMILES
C1CC1N2C(=NNC2=S)CCC(=O)N
InChI
InChI=1S/C8H12N4OS/c9-6(13)3-4-7-10-11-8(14)12(7)5-1-2-5/h5H,1-4H2,(H2,9,13)(H,11,14)
InChIKey
SAHSVENQWDFWHF-UHFFFAOYSA-N
Compound name
3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07318 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08046 148.0
[M+Na]+ 235.06240 158.5
[M+NH4]+ 230.10700 154.7
[M+K]+ 251.03634 155.5
[M-H]- 211.06590 154.9
[M+Na-2H]- 233.04785 153.6
[M]+ 212.07263 152.5
[M]- 212.07373 152.5
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.