PubChemLite - Azd2423 (C20H29ClFN5O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)N1CCN[C@H](C1)C(=O)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C20H29ClFN5O2/c1-20(2,3)27-7-6-23-17(13-27)18(28)25-8-10-26(11-9-25)19(29)24-14-4-5-15(21)16(22)12-14/h4-5,12,17,23H,6-11,13H2,1-3H3,(H,24,29)/t17-/m1/s1

InChIKey

SRWQVWAIVQXPJY-QGZVFWFLSA-N

Compound name

4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide

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]+	426.20665	204.2
[M+Na]+	448.18859	206.9
[M-H]-	424.19209	204.3
[M+NH4]+	443.23319	208.1
[M+K]+	464.16253	200.4
[M+H-H2O]+	408.19663	192.3
[M+HCOO]-	470.19757	204.9
[M+CH3COO]-	484.21322	224.8
[M+Na-2H]-	446.17404	200.9
[M]+	425.19882	196.0
[M]-	425.19992	196.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.20665

204.2

[M+Na]+

448.18859

206.9

[M-H]-

424.19209

204.3

[M+NH4]+

443.23319

208.1

[M+K]+

464.16253

200.4

[M+H-H2O]+

408.19663

192.3

[M+HCOO]-

470.19757

204.9

[M+CH3COO]-

484.21322

224.8

[M+Na-2H]-

446.17404

200.9

[M]+

425.19882

196.0

[M]-

425.19992

196.0

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

Azd2423

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe