CID 2817312

Ethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate

Structural Information

Molecular Formula
C15H15NO5
SMILES
CCOC(=O)C1=C(NC2(C1(C(=O)C3=CC=CC=C32)O)O)C
InChI
InChI=1S/C15H15NO5/c1-3-21-13(18)11-8(2)16-15(20)10-7-5-4-6-9(10)12(17)14(11,15)19/h4-7,16,19-20H,3H2,1-2H3
InChIKey
AANNAPQFFOIMQA-UHFFFAOYSA-N
Compound name
ethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

289.09503 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.102306 163.8
[M+Na]+ 312.084248 174.3
[M-H]- 288.087754 165.3
[M+NH4]+ 307.128853 186.1
[M+K]+ 328.058188 169.8
[M+H-H2O]+ 272.092290 160.4
[M+HCOO]- 334.093231 180.5
[M+CH3COO]- 348.108881 193.5
[M+Na-2H]- 310.069696 166.9
[M]+ 289.09448142 166.2
[M]- 289.09557858 166.2
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.