PubChemLite - Kv3 modulator 1 (C20H20N4O4)

Structural Information

Molecular Formula

SMILES

CC1=C2C(=C(C=C1)OC3=NC=C(C=N3)N4C(=O)C(NC4=O)(C)C)C5(CC5)CO2

InChI

InChI=1S/C20H20N4O4/c1-11-4-5-13(14-15(11)27-10-20(14)6-7-20)28-17-21-8-12(9-22-17)24-16(25)19(2,3)23-18(24)26/h4-5,8-9H,6-7,10H2,1-3H3,(H,23,26)

InChIKey

JYHHQTRVJFMEGR-UHFFFAOYSA-N

Compound name

5,5-dimethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-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]+	381.15575	197.5
[M+Na]+	403.13769	210.0
[M-H]-	379.14119	205.9
[M+NH4]+	398.18229	206.2
[M+K]+	419.11163	204.8
[M+H-H2O]+	363.14573	189.8
[M+HCOO]-	425.14667	210.7
[M+CH3COO]-	439.16232	206.9
[M+Na-2H]-	401.12314	196.4
[M]+	380.14792	202.2
[M]-	380.14902	202.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

381.15575

197.5

[M+Na]+

403.13769

210.0

[M-H]-

379.14119

205.9

[M+NH4]+

398.18229

206.2

[M+K]+

419.11163

204.8

[M+H-H2O]+

363.14573

189.8

[M+HCOO]-

425.14667

210.7

[M+CH3COO]-

439.16232

206.9

[M+Na-2H]-

401.12314

196.4

[M]+

380.14792

202.2

[M]-

380.14902

202.2

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

Kv3 modulator 1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe