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 201.1
[M+Na]+ 415.27200 200.1
[M-H]- 391.27550 204.9
[M+NH4]+ 410.31660 208.7
[M+K]+ 431.24594 193.2
[M+H-H2O]+ 375.28004 188.3
[M+HCOO]- 437.28098 209.5
[M+CH3COO]- 451.29663 205.8
[M+Na-2H]- 413.25745 201.9
[M]+ 392.28223 192.7
[M]- 392.28333 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.