CID 63380

Chi 15

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)Cl
InChI
InChI=1S/C16H13ClN2O2/c1-10-18-14-6-4-3-5-12(14)16(20)19(10)11-7-8-15(21-2)13(17)9-11/h3-9H,1-2H3
InChIKey
AGBDOLJTJVOUIG-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methoxyphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06656 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 166.2
[M+Na]+ 323.05578 178.8
[M-H]- 299.05928 172.0
[M+NH4]+ 318.10038 181.1
[M+K]+ 339.02972 172.4
[M+H-H2O]+ 283.06382 157.3
[M+HCOO]- 345.06476 182.7
[M+CH3COO]- 359.08041 178.7
[M+Na-2H]- 321.04123 172.1
[M]+ 300.06601 171.9
[M]- 300.06711 171.9
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.