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]+ 253.09715 155.2
[M+Na]+ 275.07909 164.4
[M-H]- 251.08259 158.9
[M+NH4]+ 270.12369 169.6
[M+K]+ 291.05303 158.6
[M+H-H2O]+ 235.08713 145.9
[M+HCOO]- 297.08807 175.3
[M+CH3COO]- 311.10372 166.9
[M+Na-2H]- 273.06454 164.1
[M]+ 252.08932 155.3
[M]- 252.09042 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.