CID 165896872

2639459-31-5

Structural Information

Molecular Formula
C26H23NO5
SMILES
C1CN(CC1OC2=CC=CC(=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H23NO5/c28-25(29)17-6-5-7-18(14-17)32-19-12-13-27(15-19)26(30)31-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-11,14,19,24H,12-13,15-16H2,(H,28,29)
InChIKey
IHLZXMZSUDFHBI-UHFFFAOYSA-N
Compound name
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.15762 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.164896 202.0
[M+Na]+ 452.146838 206.8
[M-H]- 428.150344 210.9
[M+NH4]+ 447.191443 214.2
[M+K]+ 468.120778 202.0
[M+H-H2O]+ 412.154880 193.3
[M+HCOO]- 474.155821 217.9
[M+CH3COO]- 488.171471 210.4
[M+Na-2H]- 450.132286 199.0
[M]+ 429.15707142 203.1
[M]- 429.15816858 203.1
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.