CID 63598

B 152

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1C3=C(C(=CC=C3)Cl)C
InChI
InChI=1S/C17H15ClN2O/c1-3-16-19-14-9-5-4-7-12(14)17(21)20(16)15-10-6-8-13(18)11(15)2/h4-10H,3H2,1-2H3
InChIKey
POEVVCJBCVTEKL-UHFFFAOYSA-N
Compound name
3-(3-chloro-2-methylphenyl)-2-ethylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08728 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 167.8
[M+Na]+ 321.07650 180.1
[M-H]- 297.08000 173.3
[M+NH4]+ 316.12110 182.9
[M+K]+ 337.05044 172.8
[M+H-H2O]+ 281.08454 158.9
[M+HCOO]- 343.08548 183.8
[M+CH3COO]- 357.10113 180.0
[M+Na-2H]- 319.06195 173.1
[M]+ 298.08673 172.4
[M]- 298.08783 172.4
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.