CID 135435165

Chembl300695

Structural Information

Molecular Formula
C13H9ClN4O
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3=C(C(=O)NC(=N3)N)Cl
InChI
InChI=1S/C13H9ClN4O/c14-10-11(17-13(15)18-12(10)19)9-6-5-7-3-1-2-4-8(7)16-9/h1-6H,(H3,15,17,18,19)
InChIKey
BSZMIQSGOFLHKP-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-quinolin-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.04648 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05376 159.2
[M+Na]+ 295.03570 171.1
[M-H]- 271.03920 161.7
[M+NH4]+ 290.08030 172.3
[M+K]+ 311.00964 163.1
[M+H-H2O]+ 255.04374 150.3
[M+HCOO]- 317.04468 174.1
[M+CH3COO]- 331.06033 170.5
[M+Na-2H]- 293.02115 166.6
[M]+ 272.04593 159.1
[M]- 272.04703 159.1
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.