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
1
Annotation Hits

0
References

0
Patents

328.06955 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07683 170.9
[M+Na]+ 351.05877 181.2
[M-H]- 327.06227 176.3
[M+NH4]+ 346.10337 183.9
[M+K]+ 367.03271 180.1
[M+H-H2O]+ 311.06681 162.5
[M+HCOO]- 373.06775 190.3
[M+CH3COO]- 387.08340 212.4
[M+Na-2H]- 349.04422 176.4
[M]+ 328.06900 177.3
[M]- 328.07010 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

No patent data available for this compound.