CID 170765

Einecs 256-235-6

Structural Information

Molecular Formula
C45H90N4O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC)CCO
InChI
InChI=1S/C45H90N4O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)46-35-37-48(39-41-50)45(54)49(40-42-51)38-36-47-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50-51H,3-42H2,1-2H3,(H,46,52)(H,47,53)
InChIKey
JZXFFWLVPZYRKG-UHFFFAOYSA-N
Compound name
N-[2-[2-hydroxyethyl-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]carbamoyl]amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

766.6911 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 767.69838 308.3
[M+Na]+ 789.68032 317.7
[M-H]- 765.68382 303.9
[M+NH4]+ 784.72492 312.0
[M+K]+ 805.65426 319.5
[M+H-H2O]+ 749.68836 305.6
[M+HCOO]- 811.68930 296.1
[M+CH3COO]- 825.70495 307.2
[M+Na-2H]- 787.66577 288.5
[M]+ 766.69055 299.6
[M]- 766.69165 299.6
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.