CID 23244604

Promucosine

Structural Information

Molecular Formula
C20H21NO5
SMILES
COC1=C(C2=C3C(CC24C=CC(=O)C=C4)N(CCC3=C1)C(=O)OC)OC
InChI
InChI=1S/C20H21NO5/c1-24-15-10-12-6-9-21(19(23)26-3)14-11-20(7-4-13(22)5-8-20)17(16(12)14)18(15)25-2/h4-5,7-8,10,14H,6,9,11H2,1-3H3
InChIKey
RRWYPLCSLKEVAO-UHFFFAOYSA-N
Compound name
methyl 10,11-dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 182.5
[M+Na]+ 378.13119 190.7
[M-H]- 354.13469 187.9
[M+NH4]+ 373.17579 200.6
[M+K]+ 394.10513 187.4
[M+H-H2O]+ 338.13923 174.6
[M+HCOO]- 400.14017 198.0
[M+CH3COO]- 414.15582 214.8
[M+Na-2H]- 376.11664 184.5
[M]+ 355.14142 186.4
[M]- 355.14252 186.4
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.