CID 22266949

143378-76-1

Structural Information

Molecular Formula
C31H63NO4
SMILES
CCCCCCCCCCCCCCCCOCC(CN(CCO)C(=O)CCCCCCCCC)O
InChI
InChI=1S/C31H63NO4/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-27-36-29-30(34)28-32(25-26-33)31(35)24-22-20-18-10-8-6-4-2/h30,33-34H,3-29H2,1-2H3
InChIKey
VLFFJRWJENWEBR-UHFFFAOYSA-N
Compound name
N-(3-hexadecoxy-2-hydroxypropyl)-N-(2-hydroxyethyl)decanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

68
Patents

513.4757 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.48298 248.3
[M+Na]+ 536.46492 254.5
[M-H]- 512.46842 236.7
[M+NH4]+ 531.50952 248.2
[M+K]+ 552.43886 253.5
[M+H-H2O]+ 496.47296 247.6
[M+HCOO]- 558.47390 248.9
[M+CH3COO]- 572.48955 251.8
[M+Na-2H]- 534.45037 232.9
[M]+ 513.47515 245.5
[M]- 513.47625 245.5
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