CID 11820895

N-ethoxy-1-[4-[2-[1-[4-(trifluoromethyl)-2-pyridyl]-4-piperidyl]ethoxy]phenyl]methanimine

Structural Information

Molecular Formula
C22H26F3N3O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C22H26F3N3O2/c1-2-30-27-16-18-3-5-20(6-4-18)29-14-10-17-8-12-28(13-9-17)21-15-19(7-11-26-21)22(23,24)25/h3-7,11,15-17H,2,8-10,12-14H2,1H3/b27-16+
InChIKey
MCNUHXSUVLRYOM-JVWAILMASA-N
Compound name
(E)-N-ethoxy-1-[4-[2-[1-[4-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]ethoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.19772 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.20500 202.8
[M+Na]+ 444.18694 207.1
[M-H]- 420.19044 205.5
[M+NH4]+ 439.23154 209.7
[M+K]+ 460.16088 201.1
[M+H-H2O]+ 404.19498 187.9
[M+HCOO]- 466.19592 216.7
[M+CH3COO]- 480.21157 229.3
[M+Na-2H]- 442.17239 203.6
[M]+ 421.19717 198.9
[M]- 421.19827 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.