CID 16728093

4-[2,8-bis(trifluoromethyl)-4-quinolyl]-n,n-dimethyl-aniline

Structural Information

Molecular Formula
C19H14F6N2
SMILES
CN(C)C1=CC=C(C=C1)C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C19H14F6N2/c1-27(2)12-8-6-11(7-9-12)14-10-16(19(23,24)25)26-17-13(14)4-3-5-15(17)18(20,21)22/h3-10H,1-2H3
InChIKey
XIVWPGGQOHMUOU-UHFFFAOYSA-N
Compound name
4-[2,8-bis(trifluoromethyl)quinolin-4-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.1061 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11338 188.1
[M+Na]+ 407.09532 198.3
[M-H]- 383.09882 188.4
[M+NH4]+ 402.13992 200.0
[M+K]+ 423.06926 191.7
[M+H-H2O]+ 367.10336 173.9
[M+HCOO]- 429.10430 200.6
[M+CH3COO]- 443.11995 225.9
[M+Na-2H]- 405.08077 190.9
[M]+ 384.10555 182.0
[M]- 384.10665 182.0
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.