CID 3088884

Sr 44152 a

Structural Information

Molecular Formula
C26H27Cl2NO2
SMILES
C1CCN(CC1)CCC(COC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H27Cl2NO2/c27-21-11-12-24(25(28)17-21)26(30)31-18-20(13-16-29-14-4-1-5-15-29)23-10-6-8-19-7-2-3-9-22(19)23/h2-3,6-12,17,20H,1,4-5,13-16,18H2
InChIKey
PZXOIDZJVLDRIM-UHFFFAOYSA-N
Compound name
(2-naphthalen-1-yl-4-piperidin-1-ylbutyl) 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.14188 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.14916 208.2
[M+Na]+ 478.13110 212.4
[M-H]- 454.13460 214.4
[M+NH4]+ 473.17570 216.9
[M+K]+ 494.10504 204.3
[M+H-H2O]+ 438.13914 197.6
[M+HCOO]- 500.14008 212.7
[M+CH3COO]- 514.15573 214.6
[M+Na-2H]- 476.11655 206.6
[M]+ 455.14133 209.4
[M]- 455.14243 209.4
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.