CID 131287908

2091633-90-6

Structural Information

Molecular Formula

C₂₂H₁₉N₃O₄

SMILES

C1CN(CC2=C1NN=C2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C22H19N3O4/c26-21(27)20-17-11-25(10-9-19(17)23-24-20)22(28)29-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,18H,9-12H2,(H,23,24)(H,26,27)

InChIKey

VIUZOZMWQBYEQX-UHFFFAOYSA-N

Compound name

5-(9H-fluoren-9-ylmethoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 389.13754 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	390.144816	190.4
[M+Na]+	412.126758	196.8
[M-H]-	388.130264	193.7
[M+NH4]+	407.171363	202.3
[M+K]+	428.100698	190.8
[M+H-H2O]+	372.134800	181.7
[M+HCOO]-	434.135741	201.9
[M+CH3COO]-	448.151391	198.3
[M+Na-2H]-	410.112206	189.4
[M]+	389.13699142	189.7
[M]-	389.13808858	189.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.