CID 36330

Brn 0841836

Structural Information

Molecular Formula
C18H15FN2O3
SMILES
CC(C)N1C2=CC3=C(C=C2C(=NC1=O)C4=CC(=CC=C4)F)OCO3
InChI
InChI=1S/C18H15FN2O3/c1-10(2)21-14-8-16-15(23-9-24-16)7-13(14)17(20-18(21)22)11-4-3-5-12(19)6-11/h3-8,10H,9H2,1-2H3
InChIKey
XNNKONGIXZLMJM-UHFFFAOYSA-N
Compound name
8-(3-fluorophenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

326.10666 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11394 175.4
[M+Na]+ 349.09588 186.6
[M-H]- 325.09938 182.2
[M+NH4]+ 344.14048 188.1
[M+K]+ 365.06982 183.4
[M+H-H2O]+ 309.10392 165.8
[M+HCOO]- 371.10486 191.2
[M+CH3COO]- 385.12051 187.0
[M+Na-2H]- 347.08133 178.6
[M]+ 326.10611 178.7
[M]- 326.10721 178.7
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

patents stripe