CID 4034176

4-amino-2-methylpyrimidine-5-carbothioamide

Structural Information

Molecular Formula
C6H8N4S
SMILES
CC1=NC=C(C(=N1)N)C(=S)N
InChI
InChI=1S/C6H8N4S/c1-3-9-2-4(6(8)11)5(7)10-3/h2H,1H3,(H2,8,11)(H2,7,9,10)
InChIKey
HYRSYLSTXKOYMA-UHFFFAOYSA-N
Compound name
4-amino-2-methylpyrimidine-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

168.04697 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05425 133.2
[M+Na]+ 191.03619 142.5
[M-H]- 167.03969 134.1
[M+NH4]+ 186.08079 150.9
[M+K]+ 207.01013 138.6
[M+H-H2O]+ 151.04423 126.3
[M+HCOO]- 213.04517 150.7
[M+CH3COO]- 227.06082 182.2
[M+Na-2H]- 189.02164 135.8
[M]+ 168.04642 131.1
[M]- 168.04752 131.1
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