CID 2818857

Maybridge4_002255

Structural Information

Molecular Formula
C12H10N6O
SMILES
C1=CC=C(C=C1)C2=NN3C(=C2)N=NC(=C3N)C(=O)N
InChI
InChI=1S/C12H10N6O/c13-11-10(12(14)19)16-15-9-6-8(17-18(9)11)7-4-2-1-3-5-7/h1-6H,13H2,(H2,14,19)
InChIKey
VPZFYJBHUQOXSF-UHFFFAOYSA-N
Compound name
4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

254.09161 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.098886 155.1
[M+Na]+ 277.080828 166.0
[M-H]- 253.084334 158.2
[M+NH4]+ 272.125433 168.5
[M+K]+ 293.054768 160.5
[M+H-H2O]+ 237.088870 145.4
[M+HCOO]- 299.089811 177.1
[M+CH3COO]- 313.105461 166.9
[M+Na-2H]- 275.066276 161.6
[M]+ 254.09106142 154.7
[M]- 254.09215858 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.