CID 63158

Brn 0819571

Structural Information

Molecular Formula
C16H14FN3O
SMILES
CC1=NC2=C(C=C(C=C2)N)C(=O)N1C3=CC=CC=C3CF
InChI
InChI=1S/C16H14FN3O/c1-10-19-14-7-6-12(18)8-13(14)16(21)20(10)15-5-3-2-4-11(15)9-17/h2-8H,9,18H2,1H3
InChIKey
JOBAZBHARCNIFT-UHFFFAOYSA-N
Compound name
6-amino-3-[2-(fluoromethyl)phenyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1121 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11938 164.8
[M+Na]+ 306.10132 180.6
[M+NH4]+ 301.14592 172.3
[M+K]+ 322.07526 172.4
[M-H]- 282.10482 168.4
[M+Na-2H]- 304.08677 173.0
[M]+ 283.11155 168.1
[M]- 283.11265 168.1
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.