CID 155858975

Rac-(3ar,5r,7ar)-4-{[(9h-fluoren-9-yl)methoxy]carbonyl}-octahydrofuro[3,2-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C23H23NO5
SMILES
C1C[C@H](N([C@@H]2[C@H]1OCC2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H23NO5/c25-22(26)20-9-10-21-19(11-12-28-21)24(20)23(27)29-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-21H,9-13H2,(H,25,26)/t19-,20-,21-/m0/s1
InChIKey
PKOYRLMSUOKHFU-ACRUOGEOSA-N
Compound name
(3aS,5S,7aS)-4-(9H-fluoren-9-ylmethoxycarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.15762 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16490 191.2
[M+Na]+ 416.14684 195.8
[M-H]- 392.15034 197.9
[M+NH4]+ 411.19144 204.9
[M+K]+ 432.12078 192.4
[M+H-H2O]+ 376.15488 184.2
[M+HCOO]- 438.15582 202.7
[M+CH3COO]- 452.17147 199.7
[M+Na-2H]- 414.13229 188.9
[M]+ 393.15707 190.6
[M]- 393.15817 190.6
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.