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]+ 406.201276 200.2
[M+Na]+ 428.183218 204.0
[M-H]- 404.186724 208.9
[M+NH4]+ 423.227823 217.2
[M+K]+ 444.157158 199.1
[M+H-H2O]+ 388.191260 193.1
[M+HCOO]- 450.192201 214.5
[M+CH3COO]- 464.207851 208.5
[M+Na-2H]- 426.168666 194.5
[M]+ 405.19345142 197.9
[M]- 405.19454858 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.