CID 25176

4-pentenylamine, 2-(1-naphthyl)-n-(2-piperidinoethyl)-, bioxalate

Structural Information

Molecular Formula
C22H30N2
SMILES
C=CCC(CNCCN1CCCCC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H30N2/c1-2-9-20(18-23-14-17-24-15-6-3-7-16-24)22-13-8-11-19-10-4-5-12-21(19)22/h2,4-5,8,10-13,20,23H,1,3,6-7,9,14-18H2
InChIKey
SFSQPLAMCRBHPX-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)pent-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2409 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 181.1
[M+Na]+ 345.23012 182.4
[M-H]- 321.23362 184.6
[M+NH4]+ 340.27472 193.7
[M+K]+ 361.20406 176.1
[M+H-H2O]+ 305.23816 170.9
[M+HCOO]- 367.23910 197.0
[M+CH3COO]- 381.25475 213.2
[M+Na-2H]- 343.21557 183.5
[M]+ 322.24035 176.0
[M]- 322.24145 176.0
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.