CID 13582275

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

Structural Information

Molecular Formula
C7H7N5S
SMILES
C1=CN=C(N=C1C2=CSC(=N2)N)N
InChI
InChI=1S/C7H7N5S/c8-6-10-2-1-4(11-6)5-3-13-7(9)12-5/h1-3H,(H2,9,12)(H2,8,10,11)
InChIKey
FHERIFNAOMUFRM-UHFFFAOYSA-N
Compound name
4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

193.04222 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.049496 136.5
[M+Na]+ 216.031438 147.2
[M-H]- 192.034944 139.8
[M+NH4]+ 211.076043 153.7
[M+K]+ 232.005378 142.7
[M+H-H2O]+ 176.039480 128.6
[M+HCOO]- 238.040421 155.9
[M+CH3COO]- 252.056071 149.6
[M+Na-2H]- 214.016886 140.1
[M]+ 193.04167142 135.3
[M]- 193.04276858 135.3
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