CID 164160

4-quinazolinamine, n-(2-(4-(trifluoromethyl)phenyl)ethyl)-

Structural Information

Molecular Formula
C17H14F3N3
SMILES
C1=CC=C2C(=C1)C(=NC=N2)NCCC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C17H14F3N3/c18-17(19,20)13-7-5-12(6-8-13)9-10-21-16-14-3-1-2-4-15(14)22-11-23-16/h1-8,11H,9-10H2,(H,21,22,23)
InChIKey
NQDHLDRPCOXXAZ-UHFFFAOYSA-N
Compound name
N-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

317.11398 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12126 172.2
[M+Na]+ 340.10320 180.6
[M-H]- 316.10670 172.9
[M+NH4]+ 335.14780 184.3
[M+K]+ 356.07714 173.5
[M+H-H2O]+ 300.11124 159.7
[M+HCOO]- 362.11218 188.6
[M+CH3COO]- 376.12783 181.6
[M+Na-2H]- 338.08865 179.7
[M]+ 317.11343 168.2
[M]- 317.11453 168.2
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

patents stripe