CID 16734939

3-benzyl-6-hydroxy-7-methoxyquinazolin-4(3h)-one

Structural Information

Molecular Formula
C16H14N2O3
SMILES
COC1=C(C=C2C(=C1)N=CN(C2=O)CC3=CC=CC=C3)O
InChI
InChI=1S/C16H14N2O3/c1-21-15-8-13-12(7-14(15)19)16(20)18(10-17-13)9-11-5-3-2-4-6-11/h2-8,10,19H,9H2,1H3
InChIKey
UFEFZQDBNHEFBV-UHFFFAOYSA-N
Compound name
3-benzyl-6-hydroxy-7-methoxyquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

282.10043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 164.0
[M+Na]+ 305.08965 180.6
[M+NH4]+ 300.13425 171.6
[M+K]+ 321.06359 172.8
[M-H]- 281.09315 167.6
[M+Na-2H]- 303.07510 172.6
[M]+ 282.09988 167.5
[M]- 282.10098 167.5
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

patents stripe