CID 137964193

Rac-(3ar,5r,6ar)-4-{[(9h-fluoren-9-yl)methoxy]carbonyl}-hexahydro-2h-furo[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C22H21NO5
SMILES
C1CO[C@@H]2[C@H]1N([C@@H](C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H21NO5/c24-21(25)19-11-20-18(9-10-27-20)23(19)22(26)28-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-20H,9-12H2,(H,24,25)/t18-,19-,20-/m0/s1
InChIKey
USVJPYZNQMRIQS-UFYCRDLUSA-N
Compound name
(3aS,5S,6aS)-4-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14197 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14925 188.2
[M+Na]+ 402.13119 194.0
[M-H]- 378.13469 196.0
[M+NH4]+ 397.17579 204.5
[M+K]+ 418.10513 191.0
[M+H-H2O]+ 362.13923 183.1
[M+HCOO]- 424.14017 202.5
[M+CH3COO]- 438.15582 197.9
[M+Na-2H]- 400.11664 184.6
[M]+ 379.14142 189.8
[M]- 379.14252 189.8
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.