CID 650393

61195-17-3

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 159.9
[M+Na]+ 291.07400 173.8
[M+NH4]+ 286.11860 167.9
[M+K]+ 307.04794 169.5
[M-H]- 267.07750 165.2
[M+Na-2H]- 289.05945 164.1
[M]+ 268.08423 163.3
[M]- 268.08533 163.3
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.