CID 6433544

1-naphthaleneethylamine, beta-(2-butenyl)-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]+ 323.248176 182.2
[M+Na]+ 345.230118 184.2
[M-H]- 321.233624 185.0
[M+NH4]+ 340.274723 196.3
[M+K]+ 361.204058 177.0
[M+H-H2O]+ 305.238160 173.1
[M+HCOO]- 367.239101 199.0
[M+CH3COO]- 381.254751 209.6
[M+Na-2H]- 343.215566 182.5
[M]+ 322.24035142 177.6
[M]- 322.24144858 177.6
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.