CID 63276

73832-08-3

Structural Information

Molecular Formula
C16H12F3N3O
SMILES
CC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)N)N=C2C(F)(F)F
InChI
InChI=1S/C16H12F3N3O/c1-9-4-2-3-5-13(9)22-14(23)11-8-10(20)6-7-12(11)21-15(22)16(17,18)19/h2-8H,20H2,1H3
InChIKey
GQJNMFMFTRRMLP-UHFFFAOYSA-N
Compound name
6-amino-3-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.09326 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10054 173.4
[M+Na]+ 342.08248 185.2
[M-H]- 318.08598 175.1
[M+NH4]+ 337.12708 186.0
[M+K]+ 358.05642 178.2
[M+H-H2O]+ 302.09052 161.7
[M+HCOO]- 364.09146 189.8
[M+CH3COO]- 378.10711 210.4
[M+Na-2H]- 340.06793 178.0
[M]+ 319.09271 170.0
[M]- 319.09381 170.0
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.