CID 80477993

2-(1,3-thiazol-5-yl)pyrimidin-4-amine

Structural Information

Molecular Formula
C7H6N4S
SMILES
C1=CN=C(N=C1N)C2=CN=CS2
InChI
InChI=1S/C7H6N4S/c8-6-1-2-10-7(11-6)5-3-9-4-12-5/h1-4H,(H2,8,10,11)
InChIKey
JOJNYFKNYCSENB-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-5-yl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03131 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.038586 132.8
[M+Na]+ 201.020528 143.6
[M-H]- 177.024034 136.2
[M+NH4]+ 196.065133 151.0
[M+K]+ 216.994468 139.7
[M+H-H2O]+ 161.028570 125.0
[M+HCOO]- 223.029511 151.9
[M+CH3COO]- 237.045161 146.4
[M+Na-2H]- 199.005976 137.4
[M]+ 178.03076142 132.9
[M]- 178.03185858 132.9
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.