PubChemLite - Fk-352 (C23H23N3O3)

Structural Information

Molecular Formula

SMILES

C1CCN([C@H](C1)CC(=O)O)C(=O)/C=C/C2=C3C=CC=CN3N=C2C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c27-21(25-14-6-4-10-18(25)16-22(28)29)13-12-19-20-11-5-7-15-26(20)24-23(19)17-8-2-1-3-9-17/h1-3,5,7-9,11-13,15,18H,4,6,10,14,16H2,(H,28,29)/b13-12+/t18-/m1/s1

InChIKey

UWTYIJJJSYDUQM-QFQMRYFISA-N

Compound name

2-[(2R)-1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]acetic 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]+	390.18123	194.5
[M+Na]+	412.16317	199.6
[M-H]-	388.16667	199.1
[M+NH4]+	407.20777	202.8
[M+K]+	428.13711	192.7
[M+H-H2O]+	372.17121	183.2
[M+HCOO]-	434.17215	208.1
[M+CH3COO]-	448.18780	201.9
[M+Na-2H]-	410.14862	193.4
[M]+	389.17340	192.1
[M]-	389.17450	192.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.18123

194.5

[M+Na]+

412.16317

199.6

[M-H]-

388.16667

199.1

[M+NH4]+

407.20777

202.8

[M+K]+

428.13711

192.7

[M+H-H2O]+

372.17121

183.2

[M+HCOO]-

434.17215

208.1

[M+CH3COO]-

448.18780

201.9

[M+Na-2H]-

410.14862

193.4

[M]+

389.17340

192.1

[M]-

389.17450

192.1

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

Fk-352

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe