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: 48
Patents: 245.08005 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.087326	152.4
[M+Na]+	268.069268	163.3
[M-H]-	244.072774	157.4
[M+NH4]+	263.113873	167.3
[M+K]+	284.043208	160.5
[M+H-H2O]+	228.077310	143.7
[M+HCOO]-	290.078251	171.1
[M+CH3COO]-	304.093901	165.1
[M+Na-2H]-	266.054716	157.1
[M]+	245.07950142	154.0
[M]-	245.08059858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe