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

1
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

patents stripe