CID 102519656

Besarhanamide a

Structural Information

Molecular Formula
C23H43NO3
SMILES
CCCCCCCCCCCCC/C=C/CCC1C(O1)C(=O)N[C@H](C)CO
InChI
InChI=1S/C23H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(27-21)23(26)24-20(2)19-25/h15-16,20-22,25H,3-14,17-19H2,1-2H3,(H,24,26)/b16-15+/t20-,21?,22?/m1/s1
InChIKey
WFDZAQUSOQZZAS-HFXYZWCVSA-N
Compound name
3-[(E)-heptadec-3-enyl]-N-[(2R)-1-hydroxypropan-2-yl]oxirane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.32428 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.33156 199.2
[M+Na]+ 404.31350 201.4
[M-H]- 380.31700 200.6
[M+NH4]+ 399.35810 204.7
[M+K]+ 420.28744 196.4
[M+H-H2O]+ 364.32154 190.9
[M+HCOO]- 426.32248 215.7
[M+CH3COO]- 440.33813 225.9
[M+Na-2H]- 402.29895 196.3
[M]+ 381.32373 207.9
[M]- 381.32483 207.9
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.