CID 484705

Ethyl 5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate

Structural Information

Molecular Formula
C12H10N4O3
SMILES
CCOC(=O)C1=C2N=[N+](C3=CC=CC=C3N2N=C1)[O-]
InChI
InChI=1S/C12H10N4O3/c1-2-19-12(17)8-7-13-15-9-5-3-4-6-10(9)16(18)14-11(8)15/h3-7H,2H2,1H3
InChIKey
YQZIKQQJZXKSKX-UHFFFAOYSA-N
Compound name
ethyl 5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0753 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08258 155.8
[M+Na]+ 281.06452 166.7
[M-H]- 257.06802 155.9
[M+NH4]+ 276.10912 170.1
[M+K]+ 297.03846 157.9
[M+H-H2O]+ 241.07256 151.5
[M+HCOO]- 303.07350 174.4
[M+CH3COO]- 317.08915 185.4
[M+Na-2H]- 279.04997 165.5
[M]+ 258.07475 158.1
[M]- 258.07585 158.1
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.