PubChemLite - Poseltinib (C26H26N6O3)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)OC=C4

InChI

InChI=1S/C26H26N6O3/c1-3-23(33)27-19-5-4-6-21(17-19)35-25-24-22(11-16-34-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)

InChIKey

LZMJNVRJMFMYQS-UHFFFAOYSA-N

Compound name

N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

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]+	471.21391	213.1
[M+Na]+	493.19585	218.4
[M-H]-	469.19935	222.0
[M+NH4]+	488.24045	215.2
[M+K]+	509.16979	212.1
[M+H-H2O]+	453.20389	199.1
[M+HCOO]-	515.20483	228.6
[M+CH3COO]-	529.22048	219.5
[M+Na-2H]-	491.18130	214.8
[M]+	470.20608	212.7
[M]-	470.20718	212.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.21391

213.1

[M+Na]+

493.19585

218.4

[M-H]-

469.19935

222.0

[M+NH4]+

488.24045

215.2

[M+K]+

509.16979

212.1

[M+H-H2O]+

453.20389

199.1

[M+HCOO]-

515.20483

228.6

[M+CH3COO]-

529.22048

219.5

[M+Na-2H]-

491.18130

214.8

[M]+

470.20608

212.7

[M]-

470.20718

212.7

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

Poseltinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe