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 187.6
[M+Na]+ 360.22979 200.4
[M+NH4]+ 355.27439 196.1
[M+K]+ 376.20373 190.1
[M-H]- 336.23329 192.3
[M+Na-2H]- 358.21524 194.1
[M]+ 337.24002 190.8
[M]- 337.24112 190.8
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.