PubChemLite - Naamidine g (C24H25N5O4)

Structural Information

Molecular Formula

SMILES

CN1C(=C(N=C1N=C2C(=O)N(C(=O)N2)C)CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H25N5O4/c1-28-20(14-16-7-11-18(33-4)12-8-16)19(13-15-5-9-17(32-3)10-6-15)25-23(28)26-21-22(30)29(2)24(31)27-21/h5-12H,13-14H2,1-4H3,(H,25,26,27,31)

InChIKey

ODJQUXDOPVQPQZ-UHFFFAOYSA-N

Compound name

5-[4,5-bis[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

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]+	448.19792	208.6
[M+Na]+	470.17986	217.0
[M-H]-	446.18336	217.9
[M+NH4]+	465.22446	215.5
[M+K]+	486.15380	210.9
[M+H-H2O]+	430.18790	197.1
[M+HCOO]-	492.18884	227.5
[M+CH3COO]-	506.20449	235.2
[M+Na-2H]-	468.16531	203.5
[M]+	447.19009	212.5
[M]-	447.19119	212.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

448.19792

208.6

[M+Na]+

470.17986

217.0

[M-H]-

446.18336

217.9

[M+NH4]+

465.22446

215.5

[M+K]+

486.15380

210.9

[M+H-H2O]+

430.18790

197.1

[M+HCOO]-

492.18884

227.5

[M+CH3COO]-

506.20449

235.2

[M+Na-2H]-

468.16531

203.5

[M]+

447.19009

212.5

[M]-

447.19119

212.5

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

Naamidine g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe