CID 3065308

4h-1,3,4-oxadiazin-5(6h)-one, 2-(2,8-dimethylimidazo(1,2-a)pyridin-3-yl)-

Structural Information

Molecular Formula
C12H12N4O2
SMILES
CC1=CC=CN2C1=NC(=C2C3=NNC(=O)CO3)C
InChI
InChI=1S/C12H12N4O2/c1-7-4-3-5-16-10(8(2)13-11(7)16)12-15-14-9(17)6-18-12/h3-5H,6H2,1-2H3,(H,14,17)
InChIKey
ASADQZAGIHBIQK-UHFFFAOYSA-N
Compound name
2-(2,8-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

4
Patents

244.09602 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10330 155.4
[M+Na]+ 267.08524 166.9
[M-H]- 243.08874 158.1
[M+NH4]+ 262.12984 168.6
[M+K]+ 283.05918 162.7
[M+H-H2O]+ 227.09328 146.3
[M+HCOO]- 289.09422 172.3
[M+CH3COO]- 303.10987 167.3
[M+Na-2H]- 265.07069 160.3
[M]+ 244.09547 156.4
[M]- 244.09657 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