CID 135441739

2,6-diamino-5-chloropyrimidin-4-ol

Structural Information

Molecular Formula
C4H5ClN4O
SMILES
C1(=C(N=C(NC1=O)N)N)Cl
InChI
InChI=1S/C4H5ClN4O/c5-1-2(6)8-4(7)9-3(1)10/h(H5,6,7,8,9,10)
InChIKey
SUZZQYKVSMFOML-UHFFFAOYSA-N
Compound name
2,4-diamino-5-chloro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.01518 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02246 126.4
[M+Na]+ 183.00440 138.7
[M+NH4]+ 178.04900 133.4
[M+K]+ 198.97834 134.1
[M-H]- 159.00790 127.2
[M+Na-2H]- 180.98985 132.2
[M]+ 160.01463 128.3
[M]- 160.01573 128.3
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.