2138409-62-6 (C23H21N3O4)

Structural Information

Molecular Formula

SMILES

C1CC(C2=CC(=NN2C1)C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C23H21N3O4/c27-22(28)20-12-21-19(10-5-11-26(21)25-20)24-23(29)30-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,12,18-19H,5,10-11,13H2,(H,24,29)(H,27,28)

InChIKey

OZIJFSBLXJCGLV-UHFFFAOYSA-N

Compound name

4-(9H-fluoren-9-ylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

Related CIDs

2D Structure

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]+	404.160476	192.0
[M+Na]+	426.142418	197.4
[M-H]-	402.145924	197.6
[M+NH4]+	421.187023	205.1
[M+K]+	442.116358	192.3
[M+H-H2O]+	386.150460	183.5
[M+HCOO]-	448.151401	207.0
[M+CH3COO]-	462.167051	200.4
[M+Na-2H]-	424.127866	192.1
[M]+	403.15265142	192.3
[M]-	403.15374858	192.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

404.160476

192.0

[M+Na]+

426.142418

197.4

[M-H]-

402.145924

197.6

[M+NH4]+

421.187023

205.1

[M+K]+

442.116358

192.3

[M+H-H2O]+

386.150460

183.5

[M+HCOO]-

448.151401

207.0

[M+CH3COO]-

462.167051

200.4

[M+Na-2H]-

424.127866

192.1

[M]+

403.15265142

192.3

[M]-

403.15374858

192.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2138409-62-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe