CID 124254745

2137568-93-3

Structural Information

Molecular Formula
C22H21NO5
SMILES
C1[C@@H]2COC[C@@]2(CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C22H21NO5/c24-20(25)22-12-23(9-14(22)10-27-13-22)21(26)28-11-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,24,25)/t14-,22-/m1/s1
InChIKey
JOTBNWMOXXJOND-JLCFBVMHSA-N
Compound name
(3aR,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14197 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14925 188.8
[M+Na]+ 402.13119 195.0
[M-H]- 378.13469 196.5
[M+NH4]+ 397.17579 206.9
[M+K]+ 418.10513 191.9
[M+H-H2O]+ 362.13923 183.5
[M+HCOO]- 424.14017 203.1
[M+CH3COO]- 438.15582 198.6
[M+Na-2H]- 400.11664 186.9
[M]+ 379.14142 190.3
[M]- 379.14252 190.3
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.