CID 3038472

Irampanel

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CN(C)CCOC1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3O2/c1-21(2)12-13-22-16-11-7-6-10-15(16)18-19-17(20-23-18)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKey
QZULPCPLWGCGSL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

277
Patents

309.14774 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.155016 172.7
[M+Na]+ 332.136958 179.8
[M-H]- 308.140464 181.9
[M+NH4]+ 327.181563 185.0
[M+K]+ 348.110898 177.5
[M+H-H2O]+ 292.145000 162.1
[M+HCOO]- 354.145941 196.2
[M+CH3COO]- 368.161591 184.4
[M+Na-2H]- 330.122406 177.2
[M]+ 309.14719142 177.0
[M]- 309.14828858 177.0
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