CID 110194

Octadecanamide, n-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-

Structural Information

Molecular Formula
C22H45NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(CO)(CO)CO
InChI
InChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)23-22(18-24,19-25)20-26/h24-26H,2-20H2,1H3,(H,23,27)
InChIKey
LQRFVSAFANRBHO-UHFFFAOYSA-N
Compound name
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

387.33487 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.34215 205.3
[M+Na]+ 410.32409 203.9
[M-H]- 386.32759 198.5
[M+NH4]+ 405.36869 204.7
[M+K]+ 426.29803 199.4
[M+H-H2O]+ 370.33213 198.1
[M+HCOO]- 432.33307 217.1
[M+CH3COO]- 446.34872 220.0
[M+Na-2H]- 408.30954 202.6
[M]+ 387.33432 209.9
[M]- 387.33542 209.9
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