CID 6474616

(5s,6s,10e)-1,6-dihydroxy-3-methoxy-2-methylene-10-propylidene-3-azaspiro[4.5]dec-8-ene-4,7-dione

Structural Information

Molecular Formula
C14H17NO5
SMILES
CC/C=C/1\C=CC(=O)[C@H]([C@@]12C(C(=C)N(C2=O)OC)O)O
InChI
InChI=1S/C14H17NO5/c1-4-5-9-6-7-10(16)12(18)14(9)11(17)8(2)15(20-3)13(14)19/h5-7,11-12,17-18H,2,4H2,1,3H3/b9-5+/t11?,12-,14+/m1/s1
InChIKey
UEEZHRJFRYRGNC-PEKKCHHVSA-N
Compound name
(5S,6E,10S)-4,10-dihydroxy-2-methoxy-3-methylidene-6-propylidene-2-azaspiro[4.5]dec-7-ene-1,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1107 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 159.2
[M+Na]+ 302.09992 168.7
[M-H]- 278.10342 161.6
[M+NH4]+ 297.14452 177.5
[M+K]+ 318.07386 164.5
[M+H-H2O]+ 262.10796 154.7
[M+HCOO]- 324.10890 175.9
[M+CH3COO]- 338.12455 195.1
[M+Na-2H]- 300.08537 158.7
[M]+ 279.11015 158.1
[M]- 279.11125 158.1
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.