CID 175464462

N-(2-hydroxyethyl)-n-[(z)-octadec-9-enoyl]octadecanamide

Structural Information

Molecular Formula
C38H73NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCO)C(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C38H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39(35-36-40)38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,40H,3-16,18,20-36H2,1-2H3/b19-17-
InChIKey
MVLXIACNZFHOJJ-ZPHPHTNESA-N
Compound name
N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.559 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.56628 266.4
[M+Na]+ 614.54822 274.1
[M-H]- 590.55172 253.5
[M+NH4]+ 609.59282 268.3
[M+K]+ 630.52216 275.1
[M+H-H2O]+ 574.55626 266.0
[M+HCOO]- 636.55720 267.7
[M+CH3COO]- 650.57285 269.5
[M+Na-2H]- 612.53367 250.2
[M]+ 591.55845 264.1
[M]- 591.55955 264.1
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

No patent data available for this compound.