CID 90862

1-(5-(4-phenylpiperidino)-2,4-pentadienylidene)-4-phenylpiperidinium chloride

Structural Information

Molecular Formula
C27H33N2
SMILES
C1CN(CCC1C2=CC=CC=C2)C=CC=CC=[N+]3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C27H33N2/c1-4-10-24(11-5-1)26-14-20-28(21-15-26)18-8-3-9-19-29-22-16-27(17-23-29)25-12-6-2-7-13-25/h1-13,18-19,26-27H,14-17,20-23H2/q+1
InChIKey
KHAVSEINBAARJV-UHFFFAOYSA-N
Compound name
4-phenyl-1-[5-(4-phenylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.26437 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.27165 205.4
[M+Na]+ 408.25359 205.0
[M-H]- 384.25709 211.9
[M+NH4]+ 403.29819 211.9
[M+K]+ 424.22753 190.3
[M+H-H2O]+ 368.26163 194.2
[M+HCOO]- 430.26257 216.4
[M+CH3COO]- 444.27822 211.5
[M+Na-2H]- 406.23904 205.2
[M]+ 385.26382 192.7
[M]- 385.26492 192.7
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.