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]+ 352.175456 178.4
[M+Na]+ 374.157398 186.0
[M-H]- 350.160904 177.8
[M+NH4]+ 369.202003 192.6
[M+K]+ 390.131338 184.9
[M+H-H2O]+ 334.165440 179.4
[M+HCOO]- 396.166381 187.2
[M+CH3COO]- 410.182031 205.3
[M+Na-2H]- 372.142846 176.8
[M]+ 351.16763142 177.0
[M]- 351.16872858 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.