CID 16728109

1-[2,8-bis(trifluoromethyl)-4-quinolyl]-n-(4-methylpiperazin-1-yl)methanimine

Structural Information

Molecular Formula
C17H16F6N4
SMILES
CN1CCN(CC1)/N=C/C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H16F6N4/c1-26-5-7-27(8-6-26)24-10-11-9-14(17(21,22)23)25-15-12(11)3-2-4-13(15)16(18,19)20/h2-4,9-10H,5-8H2,1H3/b24-10+
InChIKey
FPMYSAHUTMUDRI-YSURURNPSA-N
Compound name
(E)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.12793 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13521 193.0
[M+Na]+ 413.11715 201.6
[M-H]- 389.12065 189.6
[M+NH4]+ 408.16175 201.7
[M+K]+ 429.09109 194.3
[M+H-H2O]+ 373.12519 177.4
[M+HCOO]- 435.12613 200.4
[M+CH3COO]- 449.14178 224.1
[M+Na-2H]- 411.10260 195.1
[M]+ 390.12738 182.8
[M]- 390.12848 182.8
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.