CID 11347939

Semiplenamide c

Structural Information

Molecular Formula
C20H39NO2
SMILES
CCCCCCCCCCCCC/C=C(\C)/C(=O)N[C@@H](C)CO
InChI
InChI=1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)20(23)21-19(3)17-22/h16,19,22H,4-15,17H2,1-3H3,(H,21,23)/b18-16+/t19-/m0/s1
InChIKey
YATFRALIAPYFQO-YMIFCHIISA-N
Compound name
(E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

325.29807 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.305346 192.3
[M+Na]+ 348.287288 192.4
[M-H]- 324.290794 188.7
[M+NH4]+ 343.331893 205.4
[M+K]+ 364.261228 188.8
[M+H-H2O]+ 308.295330 185.1
[M+HCOO]- 370.296271 208.9
[M+CH3COO]- 384.311921 214.8
[M+Na-2H]- 346.272736 187.8
[M]+ 325.29752142 195.4
[M]- 325.29861858 195.4
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