CID 63237

37905-56-9

Structural Information

Molecular Formula
C13H9ClN4O
SMILES
CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1C3=NC=CC=N3
InChI
InChI=1S/C13H9ClN4O/c1-8-17-11-4-3-9(14)7-10(11)12(19)18(8)13-15-5-2-6-16-13/h2-7H,1H3
InChIKey
LKTWWJPYKPAYBC-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-3-pyrimidin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.04648 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05376 159.6
[M+Na]+ 295.03570 172.6
[M-H]- 271.03920 162.3
[M+NH4]+ 290.08030 172.4
[M+K]+ 311.00964 165.5
[M+H-H2O]+ 255.04374 149.3
[M+HCOO]- 317.04468 173.9
[M+CH3COO]- 331.06033 171.4
[M+Na-2H]- 293.02115 167.7
[M]+ 272.04593 163.1
[M]- 272.04703 163.1
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.