CID 25174

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

Structural Information

Molecular Formula
C21H28N2
SMILES
C=CCC(CNCCC1CCCN1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H28N2/c1-2-7-18(16-22-15-13-19-10-6-14-23-19)21-12-5-9-17-8-3-4-11-20(17)21/h2-5,8-9,11-12,18-19,22-23H,1,6-7,10,13-16H2
InChIKey
LTQOTAIVSSMUEA-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-N-(2-pyrrolidin-2-ylethyl)pent-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 177.5
[M+Na]+ 331.21447 179.8
[M-H]- 307.21797 180.5
[M+NH4]+ 326.25907 192.0
[M+K]+ 347.18841 172.8
[M+H-H2O]+ 291.22251 168.5
[M+HCOO]- 353.22345 194.6
[M+CH3COO]- 367.23910 207.2
[M+Na-2H]- 329.19992 178.3
[M]+ 308.22470 172.6
[M]- 308.22580 172.6
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.