CID 4460454

2-(3,4,5-trimethoxyphenyl)-2,3-dihydroquinazolin-4(1h)-one

Structural Information

Molecular Formula
C17H18N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C2NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C17H18N2O4/c1-21-13-8-10(9-14(22-2)15(13)23-3)16-18-12-7-5-4-6-11(12)17(20)19-16/h4-9,16,18H,1-3H3,(H,19,20)
InChIKey
CECXTPIENKPXOC-UHFFFAOYSA-N
Compound name
2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12665 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 174.1
[M+Na]+ 337.11587 188.0
[M+NH4]+ 332.16047 180.4
[M+K]+ 353.08981 181.4
[M-H]- 313.11937 176.3
[M+Na-2H]- 335.10132 179.4
[M]+ 314.12610 176.5
[M]- 314.12720 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.