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 200.2
[M+Na]+ 428.18322 204.0
[M-H]- 404.18672 208.9
[M+NH4]+ 423.22782 217.2
[M+K]+ 444.15716 199.1
[M+H-H2O]+ 388.19126 193.1
[M+HCOO]- 450.19220 214.5
[M+CH3COO]- 464.20785 208.5
[M+Na-2H]- 426.16867 194.5
[M]+ 405.19345 197.9
[M]- 405.19455 197.9
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.