CID 3022627

Hyroxyethyl stearic isopropanolamide

Structural Information

Molecular Formula
C23H47NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC(C)OCCO
InChI
InChI=1S/C23H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)24-21-22(2)27-20-19-25/h22,25H,3-21H2,1-2H3,(H,24,26)
InChIKey
XWMOKHVPUSDTLM-UHFFFAOYSA-N
Compound name
N-[2-(2-hydroxyethoxy)propyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

304
Patents

385.3556 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.36288 208.4
[M+Na]+ 408.34482 206.9
[M-H]- 384.34832 204.0
[M+NH4]+ 403.38942 216.5
[M+K]+ 424.31876 203.3
[M+H-H2O]+ 368.35286 200.2
[M+HCOO]- 430.35380 224.6
[M+CH3COO]- 444.36945 226.2
[M+Na-2H]- 406.33027 203.7
[M]+ 385.35505 215.6
[M]- 385.35615 215.6
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

patents stripe