PubChemLite - 108517-93-7 (C24H30N4O4)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)C2=NCCN2)OCCCCOC3=C(C=C(C=C3)C4=NCCN4)OC

InChI

InChI=1S/C24H30N4O4/c1-29-21-15-17(23-25-9-10-26-23)5-7-19(21)31-13-3-4-14-32-20-8-6-18(16-22(20)30-2)24-27-11-12-28-24/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,26)(H,27,28)

InChIKey

DSPLSDBZEFMCOH-UHFFFAOYSA-N

Compound name

2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-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]+	439.23398	202.9
[M+Na]+	461.21592	206.9
[M-H]-	437.21942	207.8
[M+NH4]+	456.26052	208.2
[M+K]+	477.18986	201.0
[M+H-H2O]+	421.22396	190.7
[M+HCOO]-	483.22490	217.5
[M+CH3COO]-	497.24055	209.5
[M+Na-2H]-	459.20137	199.3
[M]+	438.22615	204.2
[M]-	438.22725	204.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.23398

202.9

[M+Na]+

461.21592

206.9

[M-H]-

437.21942

207.8

[M+NH4]+

456.26052

208.2

[M+K]+

477.18986

201.0

[M+H-H2O]+

421.22396

190.7

[M+HCOO]-

483.22490

217.5

[M+CH3COO]-

497.24055

209.5

[M+Na-2H]-

459.20137

199.3

[M]+

438.22615

204.2

[M]-

438.22725

204.2

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

108517-93-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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