CID 135863377

(2',5'-dimethyl-quinolinyl-4')-2-methyl-4-quinazolinone

Structural Information

Molecular Formula
C20H17N3O
SMILES
CC1=C2C(=CC=C1)N=C(C=C2CC3=NC4=CC=CC=C4C(=O)N3)C
InChI
InChI=1S/C20H17N3O/c1-12-6-5-9-17-19(12)14(10-13(2)21-17)11-18-22-16-8-4-3-7-15(16)20(24)23-18/h3-10H,11H2,1-2H3,(H,22,23,24)
InChIKey
CYQRQBMMDZEHCV-UHFFFAOYSA-N
Compound name
2-[(2,5-dimethylquinolin-4-yl)methyl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13718 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14446 177.8
[M+Na]+ 338.12640 189.7
[M-H]- 314.12990 181.8
[M+NH4]+ 333.17100 189.8
[M+K]+ 354.10034 181.1
[M+H-H2O]+ 298.13444 166.9
[M+HCOO]- 360.13538 195.3
[M+CH3COO]- 374.15103 188.4
[M+Na-2H]- 336.11185 185.3
[M]+ 315.13663 179.7
[M]- 315.13773 179.7
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.