CID 154699577

Ns00117334

Structural Information

Molecular Formula
C18H23NO7
SMILES
C/C=C\1/CC(=C)C(C(=O)OCC2=CCN3C2(C(CC3)OC1=O)O)(CO)O
InChI
InChI=1S/C18H23NO7/c1-3-12-8-11(2)17(23,10-20)16(22)25-9-13-4-6-19-7-5-14(18(13,19)24)26-15(12)21/h3-4,14,20,23-24H,2,5-10H2,1H3/b12-3-
InChIKey
DXKDPBHFDYKQEW-BASWHVEKSA-N
Compound name
(4Z)-4-ethylidene-7,17-dihydroxy-7-(hydroxymethyl)-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

365.14746 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.154736 178.9
[M+Na]+ 388.136678 186.2
[M-H]- 364.140184 177.9
[M+NH4]+ 383.181283 192.7
[M+K]+ 404.110618 184.6
[M+H-H2O]+ 348.144720 180.0
[M+HCOO]- 410.145661 187.2
[M+CH3COO]- 424.161311 203.1
[M+Na-2H]- 386.122126 178.7
[M]+ 365.14691142 176.0
[M]- 365.14800858 176.0
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.