CID 361955

Nsc625420

Structural Information

Molecular Formula
C44H88N2O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CN(C)CCN(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H88N2O4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(47)49-41-42(40-46(5)39-38-45(3)4)50-44(48)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3
InChIKey
IJGPYLYDDWVZNY-UHFFFAOYSA-N
Compound name
[3-[2-(dimethylamino)ethyl-methylamino]-2-octadecanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

708.67444 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.68172 298.3
[M+Na]+ 731.66366 308.0
[M-H]- 707.66716 289.2
[M+NH4]+ 726.70826 307.6
[M+K]+ 747.63760 311.8
[M+H-H2O]+ 691.67170 300.0
[M+HCOO]- 753.67264 293.1
[M+CH3COO]- 767.68829 299.3
[M+Na-2H]- 729.64911 281.0
[M]+ 708.67389 296.9
[M]- 708.67499 296.9
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.