CID 6444474

1-(2-(2-(1-naphthyl)-4-hexenyloxy)ethyl)piperidine phosphate

Structural Information

Molecular Formula
C23H31NO
SMILES
C/C=C/CC(COCCN1CCCCC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H31NO/c1-2-3-10-21(19-25-18-17-24-15-7-4-8-16-24)23-14-9-12-20-11-5-6-13-22(20)23/h2-3,5-6,9,11-14,21H,4,7-8,10,15-19H2,1H3/b3-2+
InChIKey
UAOVJWDDRYGJBH-NSCUHMNNSA-N
Compound name
1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 186.7
[M+Na]+ 360.22979 188.4
[M-H]- 336.23329 190.1
[M+NH4]+ 355.27439 199.0
[M+K]+ 376.20373 182.4
[M+H-H2O]+ 320.23783 176.3
[M+HCOO]- 382.23877 201.3
[M+CH3COO]- 396.25442 212.7
[M+Na-2H]- 358.21524 187.9
[M]+ 337.24002 183.8
[M]- 337.24112 183.8
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.