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 204.0
[M+Na]+ 444.17007 219.4
[M+NH4]+ 439.21467 212.7
[M+K]+ 460.14401 208.6
[M-H]- 420.17357 210.8
[M+Na-2H]- 442.15552 212.8
[M]+ 421.18030 208.6
[M]- 421.18140 208.6
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.