CID 355530

Nsc609357

Structural Information

Molecular Formula
C12H10N2O6
SMILES
COC(=O)N1C(=O)C2=CC=CC=C2C(=N1)OC(=O)OC
InChI
InChI=1S/C12H10N2O6/c1-18-11(16)14-10(15)8-6-4-3-5-7(8)9(13-14)20-12(17)19-2/h3-6H,1-2H3
InChIKey
HYVYBELFAFZGSF-UHFFFAOYSA-N
Compound name
methyl 4-methoxycarbonyloxy-1-oxophthalazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0539 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06118 155.4
[M+Na]+ 301.04312 165.5
[M-H]- 277.04662 158.2
[M+NH4]+ 296.08772 170.0
[M+K]+ 317.01706 164.7
[M+H-H2O]+ 261.05116 147.3
[M+HCOO]- 323.05210 176.0
[M+CH3COO]- 337.06775 196.2
[M+Na-2H]- 299.02857 161.3
[M]+ 278.05335 162.3
[M]- 278.05445 162.3
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.