CID 16734939

3-benzyl-6-hydroxy-7-methoxyquinazolin-4-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 163.7
[M+Na]+ 305.08965 174.1
[M-H]- 281.09315 168.1
[M+NH4]+ 300.13425 177.4
[M+K]+ 321.06359 168.9
[M+H-H2O]+ 265.09769 154.4
[M+HCOO]- 327.09863 183.6
[M+CH3COO]- 341.11428 175.5
[M+Na-2H]- 303.07510 170.5
[M]+ 282.09988 166.4
[M]- 282.10098 166.4
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