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]+ 286.09346 162.5
[M+Na]+ 308.07540 178.0
[M+NH4]+ 303.12000 167.6
[M+K]+ 324.04934 174.6
[M-H]- 284.07890 163.0
[M+Na-2H]- 306.06085 169.6
[M]+ 285.08563 164.7
[M]- 285.08673 164.7
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.