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]+ 370.331556 194.8
[M+Na]+ 392.313498 197.7
[M-H]- 368.317004 196.6
[M+NH4]+ 387.358103 202.7
[M+K]+ 408.287438 194.6
[M+H-H2O]+ 352.321540 188.2
[M+HCOO]- 414.322481 211.0
[M+CH3COO]- 428.338131 223.9
[M+Na-2H]- 390.298946 193.7
[M]+ 369.32373142 204.3
[M]- 369.32482858 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.