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]+ 273.053756 159.6
[M+Na]+ 295.035698 172.6
[M-H]- 271.039204 162.3
[M+NH4]+ 290.080303 172.4
[M+K]+ 311.009638 165.5
[M+H-H2O]+ 255.043740 149.3
[M+HCOO]- 317.044681 173.9
[M+CH3COO]- 331.060331 171.4
[M+Na-2H]- 293.021146 167.7
[M]+ 272.04593142 163.1
[M]- 272.04702858 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.