CID 72723

35748-35-7

Structural Information

Molecular Formula
C16H12N2O6
SMILES
COC(=O)C1=C2C(=CC=C1)N=C3C=C(C(=O)C(=C3O2)C(=O)OC)N
InChI
InChI=1S/C16H12N2O6/c1-22-15(20)7-4-3-5-9-13(7)24-14-10(18-9)6-8(17)12(19)11(14)16(21)23-2/h3-6H,17H2,1-2H3
InChIKey
VDXGQNZVNDDQND-UHFFFAOYSA-N
Compound name
dimethyl 2-amino-3-oxophenoxazine-4,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

328.06955 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.076826 170.9
[M+Na]+ 351.058768 181.2
[M-H]- 327.062274 176.3
[M+NH4]+ 346.103373 183.9
[M+K]+ 367.032708 180.1
[M+H-H2O]+ 311.066810 162.5
[M+HCOO]- 373.067751 190.3
[M+CH3COO]- 387.083401 212.4
[M+Na-2H]- 349.044216 176.4
[M]+ 328.06900142 177.3
[M]- 328.07009858 177.3
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