CID 3088908

Sr 44538 a

Structural Information

Molecular Formula
C33H35NO2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCC(COC(=O)C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C33H35NO2/c35-33(29-13-5-2-6-14-29)36-25-30(32-17-9-15-28-12-7-8-16-31(28)32)20-23-34-21-18-27(19-22-34)24-26-10-3-1-4-11-26/h1-17,27,30H,18-25H2
InChIKey
LHONBIDFAGBNJN-UHFFFAOYSA-N
Compound name
[4-(4-benzylpiperidin-1-yl)-2-naphthalen-1-ylbutyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.26678 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.27406 221.9
[M+Na]+ 500.25600 221.4
[M-H]- 476.25950 230.3
[M+NH4]+ 495.30060 226.5
[M+K]+ 516.22994 213.8
[M+H-H2O]+ 460.26404 207.5
[M+HCOO]- 522.26498 233.9
[M+CH3COO]- 536.28063 226.2
[M+Na-2H]- 498.24145 220.3
[M]+ 477.26623 217.2
[M]- 477.26733 217.2
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.