PubChemLite - Schembl5419914 (C27H24N6)

Structural Information

Molecular Formula

SMILES

C1CC1NC2=CC=CN3C2=NC(=C3C4=NC(=NC=C4)NC5CC5)C6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C27H24N6/c1-2-5-18-16-19(8-7-17(18)4-1)24-25(22-13-14-28-27(31-22)30-21-11-12-21)33-15-3-6-23(26(33)32-24)29-20-9-10-20/h1-8,13-16,20-21,29H,9-12H2,(H,28,30,31)

InChIKey

GIYMAQODFWMRCG-UHFFFAOYSA-N

Compound name

N-cyclopropyl-3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-naphthalen-2-ylimidazo[1,2-a]pyridin-8-amine

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]+	433.21352	210.9
[M+Na]+	455.19546	219.4
[M-H]-	431.19896	220.7
[M+NH4]+	450.24006	208.4
[M+K]+	471.16940	210.2
[M+H-H2O]+	415.20350	201.6
[M+HCOO]-	477.20444	228.6
[M+CH3COO]-	491.22009	216.1
[M+Na-2H]-	453.18091	212.9
[M]+	432.20569	213.4
[M]-	432.20679	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.21352

210.9

[M+Na]+

455.19546

219.4

[M-H]-

431.19896

220.7

[M+NH4]+

450.24006

208.4

[M+K]+

471.16940

210.2

[M+H-H2O]+

415.20350

201.6

[M+HCOO]-

477.20444

228.6

[M+CH3COO]-

491.22009

216.1

[M+Na-2H]-

453.18091

212.9

[M]+

432.20569

213.4

[M]-

432.20679

213.4

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

Schembl5419914

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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