CID 18119

Brn 1356055

Structural Information

Molecular Formula
C26H35N3
SMILES
C1CCN(CC1)CCC(CCN2CCCCC2)(C#N)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H35N3/c27-22-26(14-20-28-16-5-1-6-17-28,15-21-29-18-7-2-8-19-29)25-13-9-11-23-10-3-4-12-24(23)25/h3-4,9-13H,1-2,5-8,14-21H2
InChIKey
VOFHOGHLFWBOMB-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.2831 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.29038 197.8
[M+Na]+ 412.27232 200.4
[M-H]- 388.27582 199.6
[M+NH4]+ 407.31692 204.5
[M+K]+ 428.24626 189.6
[M+H-H2O]+ 372.28036 179.3
[M+HCOO]- 434.28130 203.4
[M+CH3COO]- 448.29695 201.4
[M+Na-2H]- 410.25777 198.2
[M]+ 389.28255 184.2
[M]- 389.28365 184.2
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.