CID 10022023

Semiplenamide f

Structural Information

Molecular Formula
C22H43NO3
SMILES
CCCCCCCCCCCCCCC[C@@H]1[C@@](O1)(C)C(=O)NC(C)CO
InChI
InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22(3,26-20)21(25)23-19(2)18-24/h19-20,24H,4-18H2,1-3H3,(H,23,25)/t19?,20-,22+/m1/s1
InChIKey
WTOKUHHGBBPESF-VRAFCGOGSA-N
Compound name
(2S,3R)-N-(1-hydroxypropan-2-yl)-2-methyl-3-pentadecyloxirane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.32428 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.33156 194.8
[M+Na]+ 392.31350 197.7
[M-H]- 368.31700 196.6
[M+NH4]+ 387.35810 202.7
[M+K]+ 408.28744 194.6
[M+H-H2O]+ 352.32154 188.2
[M+HCOO]- 414.32248 211.0
[M+CH3COO]- 428.33813 223.9
[M+Na-2H]- 390.29895 193.7
[M]+ 369.32373 204.3
[M]- 369.32483 204.3
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.