CID 131441819

2091893-43-3

Structural Information

Molecular Formula
C24H23N3O4
SMILES
C1CC(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=C(C=NN5)C(=O)O
InChI
InChI=1S/C24H23N3O4/c28-23(29)20-12-25-26-22(20)15-6-5-11-27(13-15)24(30)31-14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-4,7-10,12,15,21H,5-6,11,13-14H2,(H,25,26)(H,28,29)
InChIKey
OGUZHVSHTOLYLB-UHFFFAOYSA-N
Compound name
5-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]-1H-pyrazole-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 200.0
[M+Na]+ 440.15807 211.0
[M+NH4]+ 435.20267 205.7
[M+K]+ 456.13201 209.0
[M-H]- 416.16157 202.7
[M+Na-2H]- 438.14352 203.6
[M]+ 417.16830 202.0
[M]- 417.16940 202.0
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.