CID 484706

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

Structural Information

Molecular Formula
C12H10N4O2
SMILES
CCOC(=O)C1=C2N=NC3=CC=CC=C3N2N=C1
InChI
InChI=1S/C12H10N4O2/c1-2-18-12(17)8-7-13-16-10-6-4-3-5-9(10)14-15-11(8)16/h3-7H,2H2,1H3
InChIKey
BUVUJOBRZBDEEB-UHFFFAOYSA-N
Compound name
ethyl pyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.08037 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08765 152.5
[M+Na]+ 265.06959 164.1
[M-H]- 241.07309 153.5
[M+NH4]+ 260.11419 168.6
[M+K]+ 281.04353 160.1
[M+H-H2O]+ 225.07763 143.3
[M+HCOO]- 287.07857 172.1
[M+CH3COO]- 301.09422 164.9
[M+Na-2H]- 263.05504 160.7
[M]+ 242.07982 157.4
[M]- 242.08092 157.4
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.