CID 135434145

2,4-diamino-5-(5-phenylthiazol-2-yl)sulfanyl-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C13H11N5OS2
SMILES
C1=CC=C(C=C1)C2=CN=C(S2)SC3=C(N=C(NC3=O)N)N
InChI
InChI=1S/C13H11N5OS2/c14-10-9(11(19)18-12(15)17-10)21-13-16-6-8(20-13)7-4-2-1-3-5-7/h1-6H,(H5,14,15,17,18,19)
InChIKey
WFWOSYIGZUCLLN-UHFFFAOYSA-N
Compound name
2,4-diamino-5-[(5-phenyl-1,3-thiazol-2-yl)sulfanyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0405 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04778 165.3
[M+Na]+ 340.02972 176.6
[M-H]- 316.03322 170.2
[M+NH4]+ 335.07432 177.2
[M+K]+ 356.00366 167.4
[M+H-H2O]+ 300.03776 157.7
[M+HCOO]- 362.03870 177.8
[M+CH3COO]- 376.05435 175.8
[M+Na-2H]- 338.01517 165.6
[M]+ 317.03995 164.5
[M]- 317.04105 164.5
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.