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]+ 243.087646 152.5
[M+Na]+ 265.069588 164.1
[M-H]- 241.073094 153.5
[M+NH4]+ 260.114193 168.6
[M+K]+ 281.043528 160.1
[M+H-H2O]+ 225.077630 143.3
[M+HCOO]- 287.078571 172.1
[M+CH3COO]- 301.094221 164.9
[M+Na-2H]- 263.055036 160.7
[M]+ 242.07982142 157.4
[M]- 242.08091858 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.