CID 6433542

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

Structural Information

Molecular Formula
C22H32N2
SMILES
CCN(CC)CCNCC(C/C=C/C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C22H32N2/c1-4-7-11-20(18-23-16-17-24(5-2)6-3)22-15-10-13-19-12-8-9-14-21(19)22/h4,7-10,12-15,20,23H,5-6,11,16-18H2,1-3H3/b7-4+
InChIKey
FOKNKCBFXVWBOL-QPJJXVBHSA-N
Compound name
N',N'-diethyl-N-[(E)-2-naphthalen-1-ylhex-4-enyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.25656 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.26384 185.1
[M+Na]+ 347.24578 187.6
[M-H]- 323.24928 189.0
[M+NH4]+ 342.29038 200.2
[M+K]+ 363.21972 182.9
[M+H-H2O]+ 307.25382 176.3
[M+HCOO]- 369.25476 206.8
[M+CH3COO]- 383.27041 221.5
[M+Na-2H]- 345.23123 187.4
[M]+ 324.25601 187.0
[M]- 324.25711 187.0
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.