CID 270800

2-phenyl-2,3-dihydroquinazolin-4(1h)-one

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C14H12N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9,13,15H,(H,16,17)
InChIKey
BIVGFFFLVZMILM-UHFFFAOYSA-N
Compound name
2-phenyl-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

46
Patents

224.09496 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.102236 149.8
[M+Na]+ 247.084178 157.1
[M-H]- 223.087684 151.6
[M+NH4]+ 242.128783 164.6
[M+K]+ 263.058118 150.5
[M+H-H2O]+ 207.092220 141.3
[M+HCOO]- 269.093161 165.8
[M+CH3COO]- 283.108811 160.4
[M+Na-2H]- 245.069626 156.8
[M]+ 224.09441142 143.6
[M]- 224.09550858 143.6
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

patents stripe