PubChemLite - Linperlisib (C28H37FN6O5S)

Structural Information

Molecular Formula

SMILES

CC(C)(C1CCN(CC1)CC2=C3C(=CC(=C2)F)C(=NC(=N3)N4CCOCC4)C5=CC(=C(N=C5)OC)NS(=O)(=O)C)O

InChI

InChI=1S/C28H37FN6O5S/c1-28(2,36)20-5-7-34(8-6-20)17-19-13-21(29)15-22-24(31-27(32-25(19)22)35-9-11-40-12-10-35)18-14-23(33-41(4,37)38)26(39-3)30-16-18/h13-16,20,33,36H,5-12,17H2,1-4H3

InChIKey

NVWKNQGHVMMAJW-UHFFFAOYSA-N

Compound name

N-[5-[6-fluoro-8-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylquinazolin-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide

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]+	589.26028	238.3
[M+Na]+	611.24222	248.4
[M+NH4]+	606.28682	240.0
[M+K]+	627.21616	242.7
[M-H]-	587.24572	241.5
[M+Na-2H]-	609.22767	242.1
[M]+	588.25245	240.8
[M]-	588.25355	240.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

589.26028

238.3

[M+Na]+

611.24222

248.4

[M+NH4]+

606.28682

240.0

[M+K]+

627.21616

242.7

[M-H]-

587.24572

241.5

[M+Na-2H]-

609.22767

242.1

[M]+

588.25245

240.8

[M]-

588.25355

240.8

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

Linperlisib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe