CID 4460454

13165-12-3

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 173.5
[M+Na]+ 337.11587 181.6
[M-H]- 313.11937 175.9
[M+NH4]+ 332.16047 185.1
[M+K]+ 353.08981 176.6
[M+H-H2O]+ 297.12391 164.3
[M+HCOO]- 359.12485 188.8
[M+CH3COO]- 373.14050 203.6
[M+Na-2H]- 335.10132 176.7
[M]+ 314.12610 173.8
[M]- 314.12720 173.8
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.