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 147.1
[M+Na]+ 235.06240 157.9
[M-H]- 211.06590 149.5
[M+NH4]+ 230.10700 158.6
[M+K]+ 251.03634 151.4
[M+H-H2O]+ 195.07044 139.7
[M+HCOO]- 257.07138 162.9
[M+CH3COO]- 271.08703 187.3
[M+Na-2H]- 233.04785 146.7
[M]+ 212.07263 148.8
[M]- 212.07373 148.8
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.