CID 204053

Oxamisole

Structural Information

Molecular Formula
C15H20N2O2
SMILES
COC1(CCCN2C1=NC(C2)C3=CC=CC=C3)OC
InChI
InChI=1S/C15H20N2O2/c1-18-15(19-2)9-6-10-17-11-13(16-14(15)17)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKey
DWIKEPVFPTUJQU-UHFFFAOYSA-N
Compound name
8,8-dimethoxy-2-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

159
Patents

260.15247 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.159746 160.7
[M+Na]+ 283.141688 167.9
[M-H]- 259.145194 165.2
[M+NH4]+ 278.186293 179.4
[M+K]+ 299.115628 164.7
[M+H-H2O]+ 243.149730 151.9
[M+HCOO]- 305.150671 178.8
[M+CH3COO]- 319.166321 172.1
[M+Na-2H]- 281.127136 165.0
[M]+ 260.15192142 160.2
[M]- 260.15301858 160.2
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