CID 131752413

Sarmentosine?

Structural Information

Molecular Formula
C18H21NO3
SMILES
C1CCN(C1)C(=O)/C=C/CC/C=C\C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C18H21NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3-4,7-10,13H,1-2,5-6,11-12,14H2/b7-3-,8-4+
InChIKey
RUXALYXWBMBHLF-KYPMKJFLSA-N
Compound name
(2E,6Z)-7-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylhepta-2,6-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 172.8
[M+Na]+ 322.14135 182.4
[M+NH4]+ 317.18595 179.5
[M+K]+ 338.11529 179.7
[M-H]- 298.14485 176.8
[M+Na-2H]- 320.12680 174.6
[M]+ 299.15158 174.9
[M]- 299.15268 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.