CID 36331

33095-89-5

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC(C)N1C2=CC3=C(C=C2C(=NC1=O)C4=CC=CC=C4)OCO3
InChI
InChI=1S/C18H16N2O3/c1-11(2)20-14-9-16-15(22-10-23-16)8-13(14)17(19-18(20)21)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKey
FITUMOSFDCKONA-UHFFFAOYSA-N
Compound name
8-phenyl-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

19
Patents

308.1161 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 169.9
[M+Na]+ 331.10532 186.2
[M+NH4]+ 326.14992 178.1
[M+K]+ 347.07926 181.2
[M-H]- 307.10882 176.5
[M+Na-2H]- 329.09077 175.8
[M]+ 308.11555 174.3
[M]- 308.11665 174.3
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

patents stripe