CID 3076451

Brn 3627666

Structural Information

Molecular Formula
C13H11N5O3
SMILES
CN1C(=C(C=N1)C(=O)OC)N2C(=O)C3=CC=CC=C3N=N2
InChI
InChI=1S/C13H11N5O3/c1-17-11(9(7-14-17)13(20)21-2)18-12(19)8-5-3-4-6-10(8)15-16-18/h3-7H,1-2H3
InChIKey
OYUDHEDXASMUHS-UHFFFAOYSA-N
Compound name
methyl 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3-yl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.08618 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.093456 163.6
[M+Na]+ 308.075398 176.5
[M-H]- 284.078904 166.4
[M+NH4]+ 303.120003 175.5
[M+K]+ 324.049338 171.9
[M+H-H2O]+ 268.083440 153.4
[M+HCOO]- 330.084381 183.2
[M+CH3COO]- 344.100031 175.6
[M+Na-2H]- 306.060846 169.0
[M]+ 285.08563142 169.3
[M]- 285.08672858 169.3
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.