PubChemLite - Lazertinib (C30H34N8O3)

Structural Information

Molecular Formula

SMILES

CN(C)CC1=CN(N=C1C2=CC=CC=C2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCOCC5)OC

InChI

InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)

InChIKey

RRMJMHOQSALEJJ-UHFFFAOYSA-N

Compound name

N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]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]+	555.28268	234.7
[M+Na]+	577.26462	247.1
[M+NH4]+	572.30922	237.4
[M+K]+	593.23856	242.8
[M-H]-	553.26812	243.7
[M+Na-2H]-	575.25007	243.2
[M]+	554.27485	238.7
[M]-	554.27595	238.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

555.28268

234.7

[M+Na]+

577.26462

247.1

[M+NH4]+

572.30922

237.4

[M+K]+

593.23856

242.8

[M-H]-

553.26812

243.7

[M+Na-2H]-

575.25007

243.2

[M]+

554.27485

238.7

[M]-

554.27595

238.7

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

Lazertinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe