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 165.5
[M+Na]+ 306.10132 176.8
[M-H]- 282.10482 169.6
[M+NH4]+ 301.14592 179.6
[M+K]+ 322.07526 170.2
[M+H-H2O]+ 266.10936 155.2
[M+HCOO]- 328.11030 185.8
[M+CH3COO]- 342.12595 177.1
[M+Na-2H]- 304.08677 170.7
[M]+ 283.11155 164.9
[M]- 283.11265 164.9
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.