CID 165361774

Dtxsid901343347

Structural Information

Molecular Formula
C24H47NO4
SMILES
CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)OCCN(C)C
InChI
InChI=1S/C24H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21-23(26)27)24(28)29-20-19-25(2)3/h22H,4-21H2,1-3H3,(H,26,27)
InChIKey
YDMMFVKXVDDORK-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethoxycarbonyl]nonadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

413.3505 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.357776 215.3
[M+Na]+ 436.339718 213.7
[M-H]- 412.343224 213.9
[M+NH4]+ 431.384323 224.6
[M+K]+ 452.313658 211.6
[M+H-H2O]+ 396.347760 206.8
[M+HCOO]- 458.348701 223.8
[M+CH3COO]- 472.364351 234.3
[M+Na-2H]- 434.325166 208.2
[M]+ 413.34995142 219.4
[M]- 413.35104858 219.4
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.