CID 3088938

Hexanoic acid, 5-(dimethylamino)-2-(1-naphthalenyl)pentyl ester, hydrochloride

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]+ 356.258406 193.4
[M+Na]+ 378.240348 195.8
[M-H]- 354.243854 197.3
[M+NH4]+ 373.284953 207.3
[M+K]+ 394.214288 192.7
[M+H-H2O]+ 338.248390 184.5
[M+HCOO]- 400.249331 213.1
[M+CH3COO]- 414.264981 224.3
[M+Na-2H]- 376.225796 193.5
[M]+ 355.25058142 198.6
[M]- 355.25167858 198.6
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.