CID 5702612

74713-58-9

Structural Information

Molecular Formula
C22H43NO3
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O
InChI
InChI=1S/C22H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)20(19-24)23-22(26)17-4-2/h16,18,20-21,24-25H,3-15,17,19H2,1-2H3,(H,23,26)/b18-16+/t20-,21+/m0/s1
InChIKey
UCBLGIBMIAFISC-CQLAPORSSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

54
Patents

369.32428 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.33156 203.7
[M+Na]+ 392.31350 202.4
[M-H]- 368.31700 198.3
[M+NH4]+ 387.35810 214.2
[M+K]+ 408.28744 198.1
[M+H-H2O]+ 352.32154 196.2
[M+HCOO]- 414.32248 218.3
[M+CH3COO]- 428.33813 220.2
[M+Na-2H]- 390.29895 197.8
[M]+ 369.32373 207.1
[M]- 369.32483 207.1
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

patents stripe