CID 132350978

2137773-58-9

Structural Information

Molecular Formula
C24H23N3O4
SMILES
C1CN(CCC1(C(=O)O)N2C=CC=N2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H23N3O4/c28-22(29)24(27-13-5-12-25-27)10-14-26(15-11-24)23(30)31-16-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-9,12-13,21H,10-11,14-16H2,(H,28,29)
InChIKey
NWQNREQRXHSVBO-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.16885 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17613 199.4
[M+Na]+ 440.15807 210.7
[M+NH4]+ 435.20267 206.8
[M+K]+ 456.13201 206.3
[M-H]- 416.16157 202.3
[M+Na-2H]- 438.14352 205.2
[M]+ 417.16830 201.7
[M]- 417.16940 201.7
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.