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	192.7
[M+Na]+	403.13769	207.5
[M+NH4]+	398.18229	201.8
[M+K]+	419.11163	203.0
[M-H]-	379.14119	204.0
[M+Na-2H]-	401.12314	201.5
[M]+	380.14792	199.5
[M]-	380.14902	199.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

381.15575

192.7

[M+Na]+

403.13769

207.5

[M+NH4]+

398.18229

201.8

[M+K]+

419.11163

203.0

[M-H]-

379.14119

204.0

[M+Na-2H]-

401.12314

201.5

[M]+

380.14792

199.5

[M]-

380.14902

199.5

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