4-mmimpimp (C24H24N8O)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=NC5=C(C=C4)NC(=N5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C24H24N8O/c1-31-11-13-32(14-12-31)20-10-9-19-24(28-20)30-23(27-19)18-8-7-17-22(26-18)29-21(25-17)15-3-5-16(33-2)6-4-15/h3-10H,11-14H2,1-2H3,(H,25,26,29)(H,27,28,30)

InChIKey

KHSJTRHHYVRJBO-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine

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]+	441.214576	207.3
[M+Na]+	463.196518	217.1
[M-H]-	439.200024	210.8
[M+NH4]+	458.241123	209.4
[M+K]+	479.170458	206.1
[M+H-H2O]+	423.204560	193.5
[M+HCOO]-	485.205501	216.1
[M+CH3COO]-	499.221151	213.0
[M+Na-2H]-	461.181966	206.6
[M]+	440.20675142	206.2
[M]-	440.20784858	206.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.214576

207.3

[M+Na]+

463.196518

217.1

[M-H]-

439.200024

210.8

[M+NH4]+

458.241123

209.4

[M+K]+

479.170458

206.1

[M+H-H2O]+

423.204560

193.5

[M+HCOO]-

485.205501

216.1

[M+CH3COO]-

499.221151

213.0

[M+Na-2H]-

461.181966

206.6

[M]+

440.20675142

206.2

[M]-

440.20784858

206.2

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

4-mmimpimp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe