CID 452656

Hydroxypropane-18-oet

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
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

literature stripe

Patent stripe

patents stripe