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]+ 430.16490 202.0
[M+Na]+ 452.14684 206.8
[M-H]- 428.15034 210.9
[M+NH4]+ 447.19144 214.2
[M+K]+ 468.12078 202.0
[M+H-H2O]+ 412.15488 193.3
[M+HCOO]- 474.15582 217.9
[M+CH3COO]- 488.17147 210.4
[M+Na-2H]- 450.13229 199.0
[M]+ 429.15707 203.1
[M]- 429.15817 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.