CID 131453126

2091896-93-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.16885 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17613 199.7
[M+Na]+ 440.15807 211.2
[M+NH4]+ 435.20267 205.7
[M+K]+ 456.13201 208.9
[M-H]- 416.16157 202.8
[M+Na-2H]- 438.14352 203.8
[M]+ 417.16830 201.9
[M]- 417.16940 201.9
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.