CID 16728101

N-(2-pyridylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine

Structural Information

Molecular Formula
C17H11F6N3
SMILES
C1=CC=NC(=C1)CNC2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H11F6N3/c18-16(19,20)12-6-3-5-11-13(25-9-10-4-1-2-7-24-10)8-14(17(21,22)23)26-15(11)12/h1-8H,9H2,(H,25,26)
InChIKey
FUHSHZFIGWVNMR-UHFFFAOYSA-N
Compound name
N-(pyridin-2-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.08572 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09300 183.6
[M+Na]+ 394.07494 193.6
[M-H]- 370.07844 181.0
[M+NH4]+ 389.11954 193.7
[M+K]+ 410.04888 185.6
[M+H-H2O]+ 354.08298 168.9
[M+HCOO]- 416.08392 195.0
[M+CH3COO]- 430.09957 218.2
[M+Na-2H]- 392.06039 189.1
[M]+ 371.08517 175.8
[M]- 371.08627 175.8
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

No patent data available for this compound.