CID 164159

8-fluoro-n-(2-(3-(trifluoromethyl)phenyl)ethyl)-4-quinazolinamine

Structural Information

Molecular Formula
C17H13F4N3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CCNC2=NC=NC3=C2C=CC=C3F
InChI
InChI=1S/C17H13F4N3/c18-14-6-2-5-13-15(14)23-10-24-16(13)22-8-7-11-3-1-4-12(9-11)17(19,20)21/h1-6,9-10H,7-8H2,(H,22,23,24)
InChIKey
CLJGHMBYRBUPEX-UHFFFAOYSA-N
Compound name
8-fluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

335.10455 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11183 176.0
[M+Na]+ 358.09377 185.5
[M-H]- 334.09727 175.8
[M+NH4]+ 353.13837 187.7
[M+K]+ 374.06771 177.9
[M+H-H2O]+ 318.10181 162.7
[M+HCOO]- 380.10275 191.4
[M+CH3COO]- 394.11840 212.8
[M+Na-2H]- 356.07922 182.1
[M]+ 335.10400 171.4
[M]- 335.10510 171.4
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

patents stripe