CID 136227107

5-(benzyloxy)-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2C(=O)NC=N3
InChI
InChI=1S/C15H12N2O2/c18-15-14-12(16-10-17-15)7-4-8-13(14)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)
InChIKey
NJNGAQRVESDVCK-UHFFFAOYSA-N
Compound name
5-phenylmethoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.097146 155.2
[M+Na]+ 275.079088 164.4
[M-H]- 251.082594 158.9
[M+NH4]+ 270.123693 169.6
[M+K]+ 291.053028 158.6
[M+H-H2O]+ 235.087130 145.9
[M+HCOO]- 297.088071 175.3
[M+CH3COO]- 311.103721 166.9
[M+Na-2H]- 273.064536 164.1
[M]+ 252.08932142 155.3
[M]- 252.09041858 155.3
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.