PubChemLite - (5e)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]iminoimidazolidine-2,4-dione (C21H19N5O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)CC2=CN(C(=N2)/N=C/3\C(=O)NC(=O)N3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C21H19N5O4/c1-30-17-8-4-13(5-9-17)10-15-12-26(11-14-2-6-16(27)7-3-14)20(22-15)23-18-19(28)25-21(29)24-18/h2-9,12,27H,10-11H2,1H3,(H2,22,23,24,25,28,29)

InChIKey

DUVWQFLGSQEPQQ-UHFFFAOYSA-N

Compound name

(5E)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]iminoimidazolidine-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]+	406.15098	194.3
[M+Na]+	428.13292	201.5
[M-H]-	404.13642	200.8
[M+NH4]+	423.17752	201.0
[M+K]+	444.10686	194.4
[M+H-H2O]+	388.14096	183.3
[M+HCOO]-	450.14190	211.4
[M+CH3COO]-	464.15755	202.4
[M+Na-2H]-	426.11837	191.5
[M]+	405.14315	192.9
[M]-	405.14425	192.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.15098

194.3

[M+Na]+

428.13292

201.5

[M-H]-

404.13642

200.8

[M+NH4]+

423.17752

201.0

[M+K]+

444.10686

194.4

[M+H-H2O]+

388.14096

183.3

[M+HCOO]-

450.14190

211.4

[M+CH3COO]-

464.15755

202.4

[M+Na-2H]-

426.11837

191.5

[M]+

405.14315

192.9

[M]-

405.14425

192.9

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

(5e)-5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]iminoimidazolidine-2,4-dione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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