CID 63468

Brn 0820648

Structural Information

Molecular Formula
C16H13FN2O2
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3OC
InChI
InChI=1S/C16H13FN2O2/c1-10-18-13-8-7-11(17)9-12(13)16(20)19(10)14-5-3-4-6-15(14)21-2/h3-9H,1-2H3
InChIKey
ANDCPRWZVCFJDY-UHFFFAOYSA-N
Compound name
6-fluoro-3-(2-methoxyphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0961 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10338 163.8
[M+Na]+ 307.08532 175.7
[M-H]- 283.08882 168.5
[M+NH4]+ 302.12992 178.4
[M+K]+ 323.05926 170.2
[M+H-H2O]+ 267.09336 153.5
[M+HCOO]- 329.09430 183.9
[M+CH3COO]- 343.10995 176.1
[M+Na-2H]- 305.07077 169.5
[M]+ 284.09555 166.2
[M]- 284.09665 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.