CID 3088920

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

Structural Information

Molecular Formula
C29H45NO2
SMILES
CCCCCCCCCCCC(=O)OCC(CCCN(C)C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C29H45NO2/c1-4-5-6-7-8-9-10-11-12-22-29(31)32-24-26(19-16-23-30(2)3)28-21-15-18-25-17-13-14-20-27(25)28/h13-15,17-18,20-21,26H,4-12,16,19,22-24H2,1-3H3
InChIKey
SVOVZAJLLOJVIU-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-2-naphthalen-1-ylpentyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.34503 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.35231 221.0
[M+Na]+ 462.33425 220.7
[M-H]- 438.33775 223.5
[M+NH4]+ 457.37885 231.3
[M+K]+ 478.30819 216.1
[M+H-H2O]+ 422.34229 210.8
[M+HCOO]- 484.34323 238.4
[M+CH3COO]- 498.35888 241.7
[M+Na-2H]- 460.31970 217.8
[M]+ 439.34448 228.1
[M]- 439.34558 228.1
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.