CID 68380174

1402004-16-3

Structural Information

Molecular Formula
C12H11N3O3
SMILES
CC1=CN(C=N1)C2=CC=C3C(=O)OCCN3C2=O
InChI
InChI=1S/C12H11N3O3/c1-8-6-14(7-13-8)9-2-3-10-12(17)18-5-4-15(10)11(9)16/h2-3,6-7H,4-5H2,1H3
InChIKey
OHSVUZLFGBAXDD-UHFFFAOYSA-N
Compound name
7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

245.08005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08733 152.4
[M+Na]+ 268.06927 163.3
[M-H]- 244.07277 157.4
[M+NH4]+ 263.11387 167.3
[M+K]+ 284.04321 160.5
[M+H-H2O]+ 228.07731 143.7
[M+HCOO]- 290.07825 171.1
[M+CH3COO]- 304.09390 165.1
[M+Na-2H]- 266.05472 157.1
[M]+ 245.07950 154.0
[M]- 245.08060 154.0
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