CID 650393

1,2-dihydro-2-(3,4-(methylenedioxy)-phenyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1OC2=C(O1)C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C15H12N2O3/c18-15-10-3-1-2-4-11(10)16-14(17-15)9-5-6-12-13(7-9)20-8-19-12/h1-7,14,16H,8H2,(H,17,18)
InChIKey
OLCOKGUYNHCXJC-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

268.08478 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.092056 157.8
[M+Na]+ 291.073998 165.9
[M-H]- 267.077504 162.2
[M+NH4]+ 286.118603 170.9
[M+K]+ 307.047938 162.1
[M+H-H2O]+ 251.082040 149.8
[M+HCOO]- 313.082981 171.0
[M+CH3COO]- 327.098631 168.5
[M+Na-2H]- 289.059446 163.3
[M]+ 268.08423142 154.7
[M]- 268.08532858 154.7
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.