CID 10200813

Radiprodil

Structural Information

Molecular Formula
C21H20FN3O4
SMILES
C1CN(CCC1CC2=CC=C(C=C2)F)C(=O)C(=O)NC3=CC4=C(C=C3)NC(=O)O4
InChI
InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)
InChIKey
GKGRZLGAQZPEHO-UHFFFAOYSA-N
Compound name
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

203
Patents

397.1438 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15108 191.9
[M+Na]+ 420.13302 198.2
[M-H]- 396.13652 198.1
[M+NH4]+ 415.17762 200.1
[M+K]+ 436.10696 193.3
[M+H-H2O]+ 380.14106 181.0
[M+HCOO]- 442.14200 206.9
[M+CH3COO]- 456.15765 200.2
[M+Na-2H]- 418.11847 192.0
[M]+ 397.14325 189.3
[M]- 397.14435 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe