PubChemLite - Gz389988 (C26H26N6O3)

Structural Information

Molecular Formula

SMILES

CN1C=C(C=N1)C2=CC3=C(N=C2)N(C(=N3)N)CC4=CC(=C(C=C4)OCC5=CC=C(C=C5)OC)OC

InChI

InChI=1S/C26H26N6O3/c1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17/h4-13,15H,14,16H2,1-3H3,(H2,27,30)

InChIKey

HVRWZFQFSQUILC-UHFFFAOYSA-N

Compound name

3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-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]+	471.21391	214.1
[M+Na]+	493.19585	224.0
[M-H]-	469.19935	223.2
[M+NH4]+	488.24045	219.3
[M+K]+	509.16979	216.8
[M+H-H2O]+	453.20389	201.2
[M+HCOO]-	515.20483	233.2
[M+CH3COO]-	529.22048	222.5
[M+Na-2H]-	491.18130	213.0
[M]+	470.20608	221.1
[M]-	470.20718	221.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.21391

214.1

[M+Na]+

493.19585

224.0

[M-H]-

469.19935

223.2

[M+NH4]+

488.24045

219.3

[M+K]+

509.16979

216.8

[M+H-H2O]+

453.20389

201.2

[M+HCOO]-

515.20483

233.2

[M+CH3COO]-

529.22048

222.5

[M+Na-2H]-

491.18130

213.0

[M]+

470.20608

221.1

[M]-

470.20718

221.1

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

Gz389988

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe