CID 78358518

Nsc 610691

Structural Information

Molecular Formula
C18H25NO6
SMILES
C/C=C/1\CC(C(C(=O)OCC2CCN3C2C(C(=C3)OC1=O)O)(C)O)C
InChI
InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(25-16(11)21)15(20)14(12)19/h4,8,10,12,14-15,20,23H,5-7,9H2,1-3H3/b11-4+
InChIKey
VDPBTIOQDGHBFO-NYYWCZLTSA-N
Compound name
(11E)-11-ethylidene-8,15-dihydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-14(17)-ene-7,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16818 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17546 178.8
[M+Na]+ 374.15740 185.7
[M+NH4]+ 369.20200 184.3
[M+K]+ 390.13134 184.7
[M-H]- 350.16090 178.7
[M+Na-2H]- 372.14285 174.9
[M]+ 351.16763 179.1
[M]- 351.16873 179.1
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.