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

96
Patents

282.10043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.107706 163.7
[M+Na]+ 305.089648 174.1
[M-H]- 281.093154 168.1
[M+NH4]+ 300.134253 177.4
[M+K]+ 321.063588 168.9
[M+H-H2O]+ 265.097690 154.4
[M+HCOO]- 327.098631 183.6
[M+CH3COO]- 341.114281 175.5
[M+Na-2H]- 303.075096 170.5
[M]+ 282.09988142 166.4
[M]- 282.10097858 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