CID 57411069

Kv3 modulator 1

Structural Information

Molecular Formula
C20H20N4O4
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

compound 2d structure
1
Annotation Hits

0
References

73
Patents

380.14847 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.155746 197.5
[M+Na]+ 403.137688 210.0
[M-H]- 379.141194 205.9
[M+NH4]+ 398.182293 206.2
[M+K]+ 419.111628 204.8
[M+H-H2O]+ 363.145730 189.8
[M+HCOO]- 425.146671 210.7
[M+CH3COO]- 439.162321 206.9
[M+Na-2H]- 401.123136 196.4
[M]+ 380.14792142 202.2
[M]- 380.14901858 202.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe