CID 135435126

Chembl294688

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
C1=CC(=CC(=C1)O)C2=C(C(=O)NC(=N2)N)Cl
InChI
InChI=1S/C10H8ClN3O2/c11-7-8(13-10(12)14-9(7)16)5-2-1-3-6(15)4-5/h1-4,15H,(H3,12,13,14,16)
InChIKey
KGZFSNRWTROPFP-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-(3-hydroxyphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.0305 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03778 148.3
[M+Na]+ 260.01972 159.6
[M-H]- 236.02322 150.4
[M+NH4]+ 255.06432 162.8
[M+K]+ 275.99366 152.9
[M+H-H2O]+ 220.02776 141.3
[M+HCOO]- 282.02870 164.7
[M+CH3COO]- 296.04435 186.8
[M+Na-2H]- 258.00517 153.6
[M]+ 237.02995 147.5
[M]- 237.03105 147.5
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

No patent data available for this compound.