CID 6444456

4634-22-4

Structural Information

Molecular Formula
C22H31NO
SMILES
CCN(CC)CCOCC(C/C=C/C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C22H31NO/c1-4-7-11-20(18-24-17-16-23(5-2)6-3)22-15-10-13-19-12-8-9-14-21(19)22/h4,7-10,12-15,20H,5-6,11,16-18H2,1-3H3/b7-4+
InChIKey
SJKATZBONCXYQR-QPJJXVBHSA-N
Compound name
N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.24057 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.247846 185.1
[M+Na]+ 348.229788 188.5
[M-H]- 324.233294 189.2
[M+NH4]+ 343.274393 200.5
[M+K]+ 364.203728 184.3
[M+H-H2O]+ 308.237830 176.5
[M+HCOO]- 370.238771 206.0
[M+CH3COO]- 384.254421 218.5
[M+Na-2H]- 346.215236 187.0
[M]+ 325.24002142 189.2
[M]- 325.24111858 189.2
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.