CID 6433544

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

Structural Information

Molecular Formula
C22H30N2
SMILES
C/C=C/CC(CNCCC1CCCN1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H30N2/c1-2-3-8-19(17-23-16-14-20-11-7-15-24-20)22-13-6-10-18-9-4-5-12-21(18)22/h2-6,9-10,12-13,19-20,23-24H,7-8,11,14-17H2,1H3/b3-2+
InChIKey
SPLMGYXJKCCYTD-NSCUHMNNSA-N
Compound name
(E)-2-naphthalen-1-yl-N-(2-pyrrolidin-2-ylethyl)hex-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2409 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 184.4
[M+Na]+ 345.23012 194.8
[M+NH4]+ 340.27472 192.5
[M+K]+ 361.20406 187.2
[M-H]- 321.23362 188.5
[M+Na-2H]- 343.21557 189.6
[M]+ 322.24035 186.8
[M]- 322.24145 186.8
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.