CID 132351088

2137852-60-7

Structural Information

Molecular Formula
C23H23NO6S
SMILES
C1[C@@H]2[C@H](CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)S(=O)(=O)C[C@H]2CC(=O)O
InChI
InChI=1S/C23H23NO6S/c25-22(26)9-14-13-31(28,29)21-11-24(10-19(14)21)23(27)30-12-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,14,19-21H,9-13H2,(H,25,26)/t14-,19+,21+/m1/s1
InChIKey
IXPIMYKJJBYZTR-RFVSGWPVSA-N
Compound name
2-[(3S,3aR,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.1246 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.13188 204.5
[M+Na]+ 464.11382 212.2
[M-H]- 440.11732 212.0
[M+NH4]+ 459.15842 222.6
[M+K]+ 480.08776 208.2
[M+H-H2O]+ 424.12186 201.0
[M+HCOO]- 486.12280 215.3
[M+CH3COO]- 500.13845 213.7
[M+Na-2H]- 462.09927 200.5
[M]+ 441.12405 210.1
[M]- 441.12515 210.1
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.