CID 3005023

5-amino-2-mercapto-1-methyl-1h-imidazole-4-carboxamide

Structural Information

Molecular Formula
C5H8N4OS
SMILES
CN1C(=C(NC1=S)C(=O)N)N
InChI
InChI=1S/C5H8N4OS/c1-9-3(6)2(4(7)10)8-5(9)11/h6H2,1H3,(H2,7,10)(H,8,11)
InChIKey
MPKNJHKYEJNMND-UHFFFAOYSA-N
Compound name
4-amino-3-methyl-2-sulfanylidene-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

172.04189 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.049166 134.1
[M+Na]+ 195.031108 144.2
[M-H]- 171.034614 134.2
[M+NH4]+ 190.075713 152.9
[M+K]+ 211.005048 140.1
[M+H-H2O]+ 155.039150 127.9
[M+HCOO]- 217.040091 151.4
[M+CH3COO]- 231.055741 179.4
[M+Na-2H]- 193.016556 133.6
[M]+ 172.04134142 131.6
[M]- 172.04243858 131.6
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

patents stripe