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
1
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]+ 366.15474 178.9
[M+Na]+ 388.13668 186.2
[M-H]- 364.14018 177.9
[M+NH4]+ 383.18128 192.7
[M+K]+ 404.11062 184.6
[M+H-H2O]+ 348.14472 180.0
[M+HCOO]- 410.14566 187.2
[M+CH3COO]- 424.16131 203.1
[M+Na-2H]- 386.12213 178.7
[M]+ 365.14691 176.0
[M]- 365.14801 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.