CID 6433546

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

Structural Information

Molecular Formula
C23H32N2
SMILES
C/C=C/CC(CNCCN1CCCCC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H32N2/c1-2-3-10-21(19-24-15-18-25-16-7-4-8-17-25)23-14-9-12-20-11-5-6-13-22(20)23/h2-3,5-6,9,11-14,21,24H,4,7-8,10,15-19H2,1H3/b3-2+
InChIKey
ZAVZXDBMEORKDK-NSCUHMNNSA-N
Compound name
(E)-2-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)hex-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.25656 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.26384 185.9
[M+Na]+ 359.24578 186.8
[M-H]- 335.24928 189.2
[M+NH4]+ 354.29038 197.9
[M+K]+ 375.21972 180.2
[M+H-H2O]+ 319.25382 175.4
[M+HCOO]- 381.25476 201.4
[M+CH3COO]- 395.27041 215.6
[M+Na-2H]- 357.23123 187.7
[M]+ 336.25601 181.0
[M]- 336.25711 181.0
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.