CID 2777813

4-(1-piperazinyl)-2-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C14H14F3N3
SMILES
C1CN(CCN1)C2=CC(=NC3=CC=CC=C32)C(F)(F)F
InChI
InChI=1S/C14H14F3N3/c15-14(16,17)13-9-12(20-7-5-18-6-8-20)10-3-1-2-4-11(10)19-13/h1-4,9,18H,5-8H2
InChIKey
VCJGCFMRAFRJNE-UHFFFAOYSA-N
Compound name
4-piperazin-1-yl-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

77
Patents

281.11398 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12126 164.7
[M+Na]+ 304.10320 171.8
[M-H]- 280.10670 162.1
[M+NH4]+ 299.14780 176.4
[M+K]+ 320.07714 165.0
[M+H-H2O]+ 264.11124 152.4
[M+HCOO]- 326.11218 174.0
[M+CH3COO]- 340.12783 172.8
[M+Na-2H]- 302.08865 169.6
[M]+ 281.11343 154.8
[M]- 281.11453 154.8
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

patents stripe