CID 3038211

Imidazole-4-acetamide, thio-

Structural Information

Molecular Formula
C5H7N3S
SMILES
C1=C(NC=N1)CC(=S)N
InChI
InChI=1S/C5H7N3S/c6-5(9)1-4-2-7-3-8-4/h2-3H,1H2,(H2,6,9)(H,7,8)
InChIKey
AZPKUIYSQYKSQH-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

141.03607 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04335 127.2
[M+Na]+ 164.02529 135.6
[M-H]- 140.02879 126.8
[M+NH4]+ 159.06989 147.2
[M+K]+ 179.99923 132.4
[M+H-H2O]+ 124.03333 120.7
[M+HCOO]- 186.03427 144.0
[M+CH3COO]- 200.04992 170.1
[M+Na-2H]- 162.01074 129.2
[M]+ 141.03552 124.7
[M]- 141.03662 124.7
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

patents stripe