CID 6444456

Brn 1997234

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]+ 326.24785 185.1
[M+Na]+ 348.22979 188.5
[M-H]- 324.23329 189.2
[M+NH4]+ 343.27439 200.5
[M+K]+ 364.20373 184.3
[M+H-H2O]+ 308.23783 176.5
[M+HCOO]- 370.23877 206.0
[M+CH3COO]- 384.25442 218.5
[M+Na-2H]- 346.21524 187.0
[M]+ 325.24002 189.2
[M]- 325.24112 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.