CID 3088928

119585-26-1

Structural Information

Molecular Formula
C32H51NO2
SMILES
CCCCCCCCCCCC(=O)OCC(CCCCCCN(C)C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C32H51NO2/c1-4-5-6-7-8-9-10-11-15-25-32(34)35-27-29(21-14-12-13-18-26-33(2)3)31-24-19-22-28-20-16-17-23-30(28)31/h16-17,19-20,22-24,29H,4-15,18,21,25-27H2,1-3H3
InChIKey
GYWBZDSRRACUGZ-UHFFFAOYSA-N
Compound name
[8-(dimethylamino)-2-naphthalen-1-yloctyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.39197 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.39925 234.5
[M+Na]+ 504.38119 232.8
[M-H]- 480.38469 236.3
[M+NH4]+ 499.42579 243.0
[M+K]+ 520.35513 227.5
[M+H-H2O]+ 464.38923 223.7
[M+HCOO]- 526.39017 250.8
[M+CH3COO]- 540.40582 250.4
[M+Na-2H]- 502.36664 229.6
[M]+ 481.39142 242.6
[M]- 481.39252 242.6
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.