CID 21589501

Semiplenamide g

Structural Information

Molecular Formula
C24H45NO4
SMILES
CCCCCCCCCCCCCCC[C@@H]1[C@@](O1)(C)C(=O)NC(C)COC(=O)C
InChI
InChI=1S/C24H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24(4,29-22)23(27)25-20(2)19-28-21(3)26/h20,22H,5-19H2,1-4H3,(H,25,27)/t20?,22-,24+/m1/s1
InChIKey
MILXVDLKZSMGBO-ZUBLCLOHSA-N
Compound name
2-[[(2S,3R)-2-methyl-3-pentadecyloxirane-2-carbonyl]amino]propyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.33487 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.34215 206.5
[M+Na]+ 434.32409 209.0
[M-H]- 410.32759 209.3
[M+NH4]+ 429.36869 213.3
[M+K]+ 450.29803 206.6
[M+H-H2O]+ 394.33213 199.5
[M+HCOO]- 456.33307 222.8
[M+CH3COO]- 470.34872 233.1
[M+Na-2H]- 432.30954 203.7
[M]+ 411.33432 218.6
[M]- 411.33542 218.6
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.