CID 102413368

N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide

Structural Information

Molecular Formula
C22H45NO3
SMILES
CCCCCCCC(C)CCCCCCCCCC(=O)NC(CO)CO
InChI
InChI=1S/C22H45NO3/c1-3-4-5-9-12-15-20(2)16-13-10-7-6-8-11-14-17-22(26)23-21(18-24)19-25/h20-21,24-25H,3-19H2,1-2H3,(H,23,26)
InChIKey
UGSNCUBVHQGYKO-UHFFFAOYSA-N
Compound name
N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.33994 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.34722 205.0
[M+Na]+ 394.32916 203.4
[M-H]- 370.33266 199.5
[M+NH4]+ 389.37376 215.4
[M+K]+ 410.30310 199.6
[M+H-H2O]+ 354.33720 197.4
[M+HCOO]- 416.33814 219.4
[M+CH3COO]- 430.35379 221.6
[M+Na-2H]- 392.31461 199.0
[M]+ 371.33939 209.2
[M]- 371.34049 209.2
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

No patent data available for this compound.