CID 3088880

Sr 44150 a

Structural Information

Molecular Formula
C26H28ClNO2
SMILES
C1CCN(CC1)CCC(COC(=O)C2=CC(=CC=C2)Cl)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H28ClNO2/c27-23-11-6-10-21(18-23)26(29)30-19-22(14-17-28-15-4-1-5-16-28)25-13-7-9-20-8-2-3-12-24(20)25/h2-3,6-13,18,22H,1,4-5,14-17,19H2
InChIKey
VFCVLHBSMNGTNB-UHFFFAOYSA-N
Compound name
(2-naphthalen-1-yl-4-piperidin-1-ylbutyl) 3-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.18085 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18813 203.4
[M+Na]+ 444.17007 206.1
[M-H]- 420.17357 209.9
[M+NH4]+ 439.21467 212.4
[M+K]+ 460.14401 198.8
[M+H-H2O]+ 404.17811 192.0
[M+HCOO]- 466.17905 212.7
[M+CH3COO]- 480.19470 210.0
[M+Na-2H]- 442.15552 203.0
[M]+ 421.18030 202.3
[M]- 421.18140 202.3
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.