PubChemLite - Parsaclisib (C20H22ClFN6O2)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C(=C(C=C1[C@H](C)N2C3=NC=NC(=C3C(=N2)C)N)Cl)F)[C@H]4CC(=O)NC4

InChI

InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1

InChIKey

ZQPDJCIXJHUERQ-QWRGUYRKSA-N

Compound name

(4R)-4-[3-[(1S)-1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]pyrrolidin-2-one

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]+	433.15495	201.5
[M+Na]+	455.13689	214.1
[M+NH4]+	450.18149	205.6
[M+K]+	471.11083	212.1
[M-H]-	431.14039	202.6
[M+Na-2H]-	453.12234	204.8
[M]+	432.14712	203.5
[M]-	432.14822	203.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.15495

201.5

[M+Na]+

455.13689

214.1

[M+NH4]+

450.18149

205.6

[M+K]+

471.11083

212.1

[M-H]-

431.14039

202.6

[M+Na-2H]-

453.12234

204.8

[M]+

432.14712

203.5

[M]-

432.14822

203.5

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

Parsaclisib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe