CID 155924845

(1r,2r)-2-benzoyl-8-(5-ethyl-2-furyl)-1,2-dihydroxy-7-methyl-9-oxa-3-azaspiro[4.4]non-7-ene-4,6-dione

Structural Information

Molecular Formula
C21H19NO7
SMILES
CCC1=CC=C(O1)C2=C(C(=O)C3(O2)[C@H]([C@](NC3=O)(C(=O)C4=CC=CC=C4)O)O)C
InChI
InChI=1S/C21H19NO7/c1-3-13-9-10-14(28-13)15-11(2)16(23)20(29-15)18(25)21(27,22-19(20)26)17(24)12-7-5-4-6-8-12/h4-10,18,25,27H,3H2,1-2H3,(H,22,26)/t18-,20?,21+/m1/s1
InChIKey
MNZOUJCDZSUFOG-IZWFHCBGSA-N
Compound name
(8R,9R)-8-benzoyl-2-(5-ethylfuran-2-yl)-8,9-dihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.11615 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.12343 186.2
[M+Na]+ 420.10537 195.1
[M-H]- 396.10887 196.5
[M+NH4]+ 415.14997 200.9
[M+K]+ 436.07931 193.0
[M+H-H2O]+ 380.11341 182.9
[M+HCOO]- 442.11435 202.1
[M+CH3COO]- 456.13000 213.3
[M+Na-2H]- 418.09082 184.0
[M]+ 397.11560 188.9
[M]- 397.11670 188.9
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.