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 178.4
[M+Na]+ 374.15740 186.0
[M-H]- 350.16090 177.8
[M+NH4]+ 369.20200 192.6
[M+K]+ 390.13134 184.9
[M+H-H2O]+ 334.16544 179.4
[M+HCOO]- 396.16638 187.2
[M+CH3COO]- 410.18203 205.3
[M+Na-2H]- 372.14285 176.8
[M]+ 351.16763 177.0
[M]- 351.16873 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.