CID 484704

Methyl pyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate

Structural Information

Molecular Formula
C11H8N4O2
SMILES
COC(=O)C1=C2N=NC3=CC=CC=C3N2N=C1
InChI
InChI=1S/C11H8N4O2/c1-17-11(16)7-6-12-15-9-5-3-2-4-8(9)13-14-10(7)15/h2-6H,1H3
InChIKey
CIDMSDOFCBFXGF-UHFFFAOYSA-N
Compound name
methyl pyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.06473 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07201 147.9
[M+Na]+ 251.05395 160.0
[M-H]- 227.05745 149.1
[M+NH4]+ 246.09855 164.5
[M+K]+ 267.02789 156.1
[M+H-H2O]+ 211.06199 138.9
[M+HCOO]- 273.06293 167.8
[M+CH3COO]- 287.07858 160.8
[M+Na-2H]- 249.03940 156.6
[M]+ 228.06418 152.4
[M]- 228.06528 152.4
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.