CID 98923

30120-87-7

Structural Information

Molecular Formula
C26H36N2O
SMILES
C1CCN(CC1)CCC(CCN2CCCCC2)(C=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H36N2O/c29-22-26(14-20-27-16-5-1-6-17-27,15-21-28-18-7-2-8-19-28)25-13-9-11-23-10-3-4-12-24(23)25/h3-4,9-13,22H,1-2,5-8,14-21H2
InChIKey
GCLNGOLTIMMHAB-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.28278 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.29006 203.0
[M+Na]+ 415.27200 214.9
[M+NH4]+ 410.31660 210.9
[M+K]+ 431.24594 205.0
[M-H]- 391.27550 208.5
[M+Na-2H]- 413.25745 209.9
[M]+ 392.28223 206.2
[M]- 392.28333 206.2
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.