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 193.4
[M+Na]+ 378.24035 195.8
[M-H]- 354.24385 197.3
[M+NH4]+ 373.28495 207.3
[M+K]+ 394.21429 192.7
[M+H-H2O]+ 338.24839 184.5
[M+HCOO]- 400.24933 213.1
[M+CH3COO]- 414.26498 224.3
[M+Na-2H]- 376.22580 193.5
[M]+ 355.25058 198.6
[M]- 355.25168 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.