CID 25172

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

Structural Information

Molecular Formula
C21H30N2
SMILES
CCN(CC)CCNCC(CC=C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C21H30N2/c1-4-10-19(17-22-15-16-23(5-2)6-3)21-14-9-12-18-11-7-8-13-20(18)21/h4,7-9,11-14,19,22H,1,5-6,10,15-17H2,2-3H3
InChIKey
IYWFFKYPANLFEJ-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(2-naphthalen-1-ylpent-4-enyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2409 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.248176 180.3
[M+Na]+ 333.230118 183.1
[M-H]- 309.233624 184.4
[M+NH4]+ 328.274723 195.8
[M+K]+ 349.204058 178.7
[M+H-H2O]+ 293.238160 171.6
[M+HCOO]- 355.239101 202.2
[M+CH3COO]- 369.254751 219.2
[M+Na-2H]- 331.215566 183.1
[M]+ 310.24035142 181.9
[M]- 310.24144858 181.9
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.