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]+ 269.09206 157.8
[M+Na]+ 291.07400 165.9
[M-H]- 267.07750 162.2
[M+NH4]+ 286.11860 170.9
[M+K]+ 307.04794 162.1
[M+H-H2O]+ 251.08204 149.8
[M+HCOO]- 313.08298 171.0
[M+CH3COO]- 327.09863 168.5
[M+Na-2H]- 289.05945 163.3
[M]+ 268.08423 154.7
[M]- 268.08533 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.