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]+ 311.24818 180.3
[M+Na]+ 333.23012 183.1
[M-H]- 309.23362 184.4
[M+NH4]+ 328.27472 195.8
[M+K]+ 349.20406 178.7
[M+H-H2O]+ 293.23816 171.6
[M+HCOO]- 355.23910 202.2
[M+CH3COO]- 369.25475 219.2
[M+Na-2H]- 331.21557 183.1
[M]+ 310.24035 181.9
[M]- 310.24145 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.