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

0
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

No literature data available for this compound.

Patent stripe

patents stripe