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 163.6
[M+Na]+ 308.07540 176.5
[M-H]- 284.07890 166.4
[M+NH4]+ 303.12000 175.5
[M+K]+ 324.04934 171.9
[M+H-H2O]+ 268.08344 153.4
[M+HCOO]- 330.08438 183.2
[M+CH3COO]- 344.10003 175.6
[M+Na-2H]- 306.06085 169.0
[M]+ 285.08563 169.3
[M]- 285.08673 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.