CID 432290

1-[2,8-bis(trifluoromethyl)-4-quinolyl]-2-(propylamino)ethanol

Structural Information

Molecular Formula
C16H16F6N2O
SMILES
CCCNCC(C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C16H16F6N2O/c1-2-6-23-8-12(25)10-7-13(16(20,21)22)24-14-9(10)4-3-5-11(14)15(17,18)19/h3-5,7,12,23,25H,2,6,8H2,1H3
InChIKey
YGTWRJXPPATPFF-UHFFFAOYSA-N
Compound name
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(propylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

366.11667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12395 181.7
[M+Na]+ 389.10589 190.0
[M-H]- 365.10939 175.8
[M+NH4]+ 384.15049 193.2
[M+K]+ 405.07983 183.9
[M+H-H2O]+ 349.11393 169.6
[M+HCOO]- 411.11487 191.4
[M+CH3COO]- 425.13052 217.3
[M+Na-2H]- 387.09134 183.9
[M]+ 366.11612 174.3
[M]- 366.11722 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe