CID 259727

[(1r,4r,5s,6r,16r)-6-hydroxy-4,5,6-trimethyl-3,7-dioxo-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-en-5-yl] acetate

Structural Information

Molecular Formula
C18H25NO7
SMILES
C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@]1(C)OC(=O)C)(C)O
InChI
InChI=1S/C18H25NO7/c1-10-15(21)25-13-6-8-19-7-5-12(14(13)19)9-24-16(22)17(3,23)18(10,4)26-11(2)20/h5,10,13-14,23H,6-9H2,1-4H3/t10-,13+,14+,17-,18-/m0/s1
InChIKey
ZVBPCOQJPAOXMI-AGMGMWSQSA-N
Compound name
[(1R,4R,5S,6R,16R)-6-hydroxy-4,5,6-trimethyl-3,7-dioxo-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-en-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.16312 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.170396 176.4
[M+Na]+ 390.152338 184.3
[M-H]- 366.155844 177.9
[M+NH4]+ 385.196943 191.8
[M+K]+ 406.126278 185.2
[M+H-H2O]+ 350.160380 177.4
[M+HCOO]- 412.161321 187.1
[M+CH3COO]- 426.176971 209.7
[M+Na-2H]- 388.137786 176.4
[M]+ 367.16257142 178.2
[M]- 367.16366858 178.2
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.