CID 3088938

Sr 45350 a

Structural Information

Molecular Formula
C23H33NO2
SMILES
CCCCCC(=O)OCC(CCCN(C)C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C23H33NO2/c1-4-5-6-16-23(25)26-18-20(13-10-17-24(2)3)22-15-9-12-19-11-7-8-14-21(19)22/h7-9,11-12,14-15,20H,4-6,10,13,16-18H2,1-3H3
InChIKey
OOGVUWODHQHCNE-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-2-naphthalen-1-ylpentyl] hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.25113 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.25841 191.2
[M+Na]+ 378.24035 201.9
[M+NH4]+ 373.28495 198.4
[M+K]+ 394.21429 193.6
[M-H]- 354.24385 194.2
[M+Na-2H]- 376.22580 195.8
[M]+ 355.25058 193.5
[M]- 355.25168 193.5
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.