CID 3065309

4h-1,3,4-oxadiazin-5(6h)-one, 2-(2,6-dimethylimidazo(1,2-a)pyridin-3-yl)-

Structural Information

Molecular Formula
C12H12N4O2
SMILES
CC1=CN2C(=NC(=C2C3=NNC(=O)CO3)C)C=C1
InChI
InChI=1S/C12H12N4O2/c1-7-3-4-9-13-8(2)11(16(9)5-7)12-15-14-10(17)6-18-12/h3-5H,6H2,1-2H3,(H,14,17)
InChIKey
AYRJDLNLBATKMA-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

244.09602 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.103296 155.4
[M+Na]+ 267.085238 166.9
[M-H]- 243.088744 158.1
[M+NH4]+ 262.129843 168.6
[M+K]+ 283.059178 162.7
[M+H-H2O]+ 227.093280 146.3
[M+HCOO]- 289.094221 172.3
[M+CH3COO]- 303.109871 167.3
[M+Na-2H]- 265.070686 160.3
[M]+ 244.09547142 156.4
[M]- 244.09656858 156.4
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