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 198.3
[M+Na]+ 440.15807 202.8
[M-H]- 416.16157 203.3
[M+NH4]+ 435.20267 207.7
[M+K]+ 456.13201 196.7
[M+H-H2O]+ 400.16611 188.6
[M+HCOO]- 462.16705 209.3
[M+CH3COO]- 476.18270 205.2
[M+Na-2H]- 438.14352 194.8
[M]+ 417.16830 195.5
[M]- 417.16940 195.5
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.