PubChemLite - 1,3-bis[5-(imidazolin-2-yl)-2-methoxyphenoxy]propane (C23H28N4O4)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)C2=NCCN2)OCCCOC3=C(C=CC(=C3)C4=NCCN4)OC

InChI

InChI=1S/C23H28N4O4/c1-28-18-6-4-16(22-24-8-9-25-22)14-20(18)30-12-3-13-31-21-15-17(5-7-19(21)29-2)23-26-10-11-27-23/h4-7,14-15H,3,8-13H2,1-2H3,(H,24,25)(H,26,27)

InChIKey

KIANXCSLZBBBKK-UHFFFAOYSA-N

Compound name

2-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-4-methoxyphenyl]-4,5-dihydro-1H-imidazole

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]+	425.21834	198.8
[M+Na]+	447.20028	203.3
[M-H]-	423.20378	204.0
[M+NH4]+	442.24488	204.7
[M+K]+	463.17422	197.7
[M+H-H2O]+	407.20832	186.9
[M+HCOO]-	469.20926	213.8
[M+CH3COO]-	483.22491	205.8
[M+Na-2H]-	445.18573	195.8
[M]+	424.21051	199.9
[M]-	424.21161	199.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.21834

198.8

[M+Na]+

447.20028

203.3

[M-H]-

423.20378

204.0

[M+NH4]+

442.24488

204.7

[M+K]+

463.17422

197.7

[M+H-H2O]+

407.20832

186.9

[M+HCOO]-

469.20926

213.8

[M+CH3COO]-

483.22491

205.8

[M+Na-2H]-

445.18573

195.8

[M]+

424.21051

199.9

[M]-

424.21161

199.9

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

1,3-bis[5-(imidazolin-2-yl)-2-methoxyphenoxy]propane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe