CID 111342

Dimethyl n-stearyl-l-aspartate

Structural Information

Molecular Formula
C24H47NO4
SMILES
CCCCCCCCCCCCCCCCCCNC(CC(=O)OC)C(=O)OC
InChI
InChI=1S/C24H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(24(27)29-3)21-23(26)28-2/h22,25H,4-21H2,1-3H3
InChIKey
GMXCEYLGVZDMKZ-UHFFFAOYSA-N
Compound name
dimethyl 2-(octadecylamino)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

413.3505 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.35778 211.0
[M+Na]+ 436.33972 214.8
[M+NH4]+ 431.38432 225.4
[M+K]+ 452.31366 224.1
[M-H]- 412.34322 214.3
[M+Na-2H]- 434.32517 208.1
[M]+ 413.34995 210.0
[M]- 413.35105 210.0
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

patents stripe