PubChemLite - Taselisib (C24H28N8O2)

Structural Information

Molecular Formula

SMILES

CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C

InChI

InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)

InChIKey

BEUQXVWXFDOSAQ-UHFFFAOYSA-N

Compound name

2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanamide

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]+	461.24080	211.6
[M+Na]+	483.22274	221.4
[M+NH4]+	478.26734	214.3
[M+K]+	499.19668	224.4
[M-H]-	459.22624	213.7
[M+Na-2H]-	481.20819	214.3
[M]+	460.23297	213.5
[M]-	460.23407	213.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.24080

211.6

[M+Na]+

483.22274

221.4

[M+NH4]+

478.26734

214.3

[M+K]+

499.19668

224.4

[M-H]-

459.22624

213.7

[M+Na-2H]-

481.20819

214.3

[M]+

460.23297

213.5

[M]-

460.23407

213.5

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

Taselisib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe