PubChemLite - Az-23 (C17H19ClFN7O)

Structural Information

Molecular Formula

SMILES

C[C@@H](C1=NC=C(C=C1)F)NC2=NC=C(C(=N2)NC3=CC(=NN3)OC(C)C)Cl

InChI

InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1

InChIKey

LBVKEEFIPBQIMD-JTQLQIEISA-N

Compound name

5-chloro-2-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine

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]+	392.13963	186.6
[M+Na]+	414.12157	198.3
[M+NH4]+	409.16617	190.5
[M+K]+	430.09551	195.0
[M-H]-	390.12507	188.1
[M+Na-2H]-	412.10702	193.5
[M]+	391.13180	188.5
[M]-	391.13290	188.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.13963

186.6

[M+Na]+

414.12157

198.3

[M+NH4]+

409.16617

190.5

[M+K]+

430.09551

195.0

[M-H]-

390.12507

188.1

[M+Na-2H]-

412.10702

193.5

[M]+

391.13180

188.5

[M]-

391.13290

188.5

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

Az-23

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe