CID 154699916

Ns00117638

Structural Information

Molecular Formula
C18H23NO7
SMILES
C/C=C\1/CC(=C)C(C(=O)OCC2=CC(N3C2C(CC3)OC1=O)O)(CO)O
InChI
InChI=1S/C18H23NO7/c1-3-11-6-10(2)18(24,9-20)17(23)25-8-12-7-14(21)19-5-4-13(15(12)19)26-16(11)22/h3,7,13-15,20-21,24H,2,4-6,8-9H2,1H3/b11-3-
InChIKey
QYQIWFZWIVRCDH-JYOAFUTRSA-N
Compound name
(4Z)-4-ethylidene-7,13-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

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.154736 180.0
[M+Na]+ 388.136678 187.1
[M-H]- 364.140184 179.1
[M+NH4]+ 383.181283 192.1
[M+K]+ 404.110618 185.3
[M+H-H2O]+ 348.144720 180.8
[M+HCOO]- 410.145661 188.3
[M+CH3COO]- 424.161311 204.9
[M+Na-2H]- 386.122126 177.7
[M]+ 365.14691142 177.0
[M]- 365.14800858 177.0
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.