CID 131345949

2091853-19-7

Structural Information

Molecular Formula
C24H23N3O4
SMILES
C1CC(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)N5C=CC(=N5)C(=O)O
InChI
InChI=1S/C24H23N3O4/c28-23(29)22-11-13-27(25-22)16-6-5-12-26(14-16)24(30)31-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-11,13,16,21H,5-6,12,14-15H2,(H,28,29)
InChIKey
ZMEYCSDDUDJTGN-UHFFFAOYSA-N
Compound name
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.16885 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17613 198.9
[M+Na]+ 440.15807 203.7
[M-H]- 416.16157 205.1
[M+NH4]+ 435.20267 208.8
[M+K]+ 456.13201 198.3
[M+H-H2O]+ 400.16611 188.7
[M+HCOO]- 462.16705 211.2
[M+CH3COO]- 476.18270 206.3
[M+Na-2H]- 438.14352 195.5
[M]+ 417.16830 197.6
[M]- 417.16940 197.6
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.