PubChemLite - Zamamidine b (C24H25N5O5)

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)O

InChI

InChI=1S/C24H25N5O5/c1-28-18(12-15-7-10-20(34-4)19(30)13-15)17(11-14-5-8-16(33-3)9-6-14)25-23(28)26-21-22(31)29(2)24(32)27-21/h5-10,13,30H,11-12H2,1-4H3,(H,25,26,27,32)

InChIKey

ZTINURUARMNVOJ-UHFFFAOYSA-N

Compound name

5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(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]+	464.19286	211.4
[M+Na]+	486.17480	219.9
[M-H]-	462.17830	219.9
[M+NH4]+	481.21940	217.2
[M+K]+	502.14874	213.9
[M+H-H2O]+	446.18284	200.5
[M+HCOO]-	508.18378	229.0
[M+CH3COO]-	522.19943	236.8
[M+Na-2H]-	484.16025	205.6
[M]+	463.18503	215.4
[M]-	463.18613	215.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.19286

211.4

[M+Na]+

486.17480

219.9

[M-H]-

462.17830

219.9

[M+NH4]+

481.21940

217.2

[M+K]+

502.14874

213.9

[M+H-H2O]+

446.18284

200.5

[M+HCOO]-

508.18378

229.0

[M+CH3COO]-

522.19943

236.8

[M+Na-2H]-

484.16025

205.6

[M]+

463.18503

215.4

[M]-

463.18613

215.4

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

Zamamidine b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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