CID 165998042

3-cyclopentyl-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C25H27NO4
SMILES
C1CCC(C1)C2(CCN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H27NO4/c27-23(28)25(17-7-1-2-8-17)13-14-26(16-25)24(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h3-6,9-12,17,22H,1-2,7-8,13-16H2,(H,27,28)
InChIKey
AIASNDFZOMPFCR-UHFFFAOYSA-N
Compound name
3-cyclopentyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.194 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.20128 198.4
[M+Na]+ 428.18322 206.9
[M+NH4]+ 423.22782 207.0
[M+K]+ 444.15716 204.4
[M-H]- 404.18672 201.7
[M+Na-2H]- 426.16867 202.2
[M]+ 405.19345 200.3
[M]- 405.19455 200.3
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.