CID 3082568

Sphingolipid e

Structural Information

Molecular Formula
C37H75NO4
SMILES
CCCCCCCCCCCCCCCCOCC(CN(CCO)C(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C37H75NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-42-35-36(40)34-38(31-32-39)37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36,39-40H,3-35H2,1-2H3
InChIKey
PUGFCQQOYJMKOO-UHFFFAOYSA-N
Compound name
N-(3-hexadecoxy-2-hydroxypropyl)-N-(2-hydroxyethyl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1354
Patents

597.5696 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.57688 268.9
[M+Na]+ 620.55882 274.0
[M-H]- 596.56232 255.0
[M+NH4]+ 615.60342 268.6
[M+K]+ 636.53276 275.5
[M+H-H2O]+ 580.56686 267.4
[M+HCOO]- 642.56780 267.1
[M+CH3COO]- 656.58345 268.5
[M+Na-2H]- 618.54427 250.9
[M]+ 597.56905 265.8
[M]- 597.57015 265.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe