CID 919038

2,2-dimethyl-3-phenyl-1h-quinazolin-4-one

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC1(NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C
InChI
InChI=1S/C16H16N2O/c1-16(2)17-14-11-7-6-10-13(14)15(19)18(16)12-8-4-3-5-9-12/h3-11,17H,1-2H3
InChIKey
BNLNGOMLZZVRRW-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-phenyl-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

252.12627 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 159.4
[M+Na]+ 275.115488 168.3
[M-H]- 251.118994 163.1
[M+NH4]+ 270.160093 176.2
[M+K]+ 291.089428 162.5
[M+H-H2O]+ 235.123530 150.6
[M+HCOO]- 297.124471 176.3
[M+CH3COO]- 311.140121 170.6
[M+Na-2H]- 273.100936 165.9
[M]+ 252.12572142 156.4
[M]- 252.12681858 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.