CID 165903695

4-(1-{[(9h-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-3-yl)benzoic acid

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1CN(CC1C2=CC=C(C=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H23NO4/c28-25(29)18-11-9-17(10-12-18)19-13-14-27(15-19)26(30)31-16-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,19,24H,13-16H2,(H,28,29)
InChIKey
DWMDYFFFVVTXKX-UHFFFAOYSA-N
Compound name
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16272 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17000 199.8
[M+Na]+ 436.15194 205.0
[M-H]- 412.15544 208.7
[M+NH4]+ 431.19654 212.8
[M+K]+ 452.12588 199.3
[M+H-H2O]+ 396.15998 191.2
[M+HCOO]- 458.16092 215.6
[M+CH3COO]- 472.17657 208.4
[M+Na-2H]- 434.13739 196.5
[M]+ 413.16217 199.6
[M]- 413.16327 199.6
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.