CID 84146

(methylimino)diethane-1,2-diyl distearate

Structural Information

Molecular Formula
C41H81NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCN(C)CCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C41H81NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-38-36-42(3)37-39-46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-39H2,1-3H3
InChIKey
TZMDJYBJDWYXPR-UHFFFAOYSA-N
Compound name
2-[methyl(2-octadecanoyloxyethyl)amino]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

651.6166 Da
Monoisotopic Mass

16.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.62388 282.1
[M+Na]+ 674.60582 289.2
[M-H]- 650.60932 268.3
[M+NH4]+ 669.65042 286.7
[M+K]+ 690.57976 291.8
[M+H-H2O]+ 634.61386 282.7
[M+HCOO]- 696.61480 283.1
[M+CH3COO]- 710.63045 282.9
[M+Na-2H]- 672.59127 264.5
[M]+ 651.61605 281.4
[M]- 651.61715 281.4
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

patents stripe