CID 11493598

Dtxcid70644238

Structural Information

Molecular Formula
C18H13N7
SMILES
C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)N
InChI
InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
InChIKey
XVECMUKVOMUNLE-UHFFFAOYSA-N
Compound name
5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

51
References

195
Patents

327.12323 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13051 174.0
[M+Na]+ 350.11245 187.0
[M-H]- 326.11595 178.8
[M+NH4]+ 345.15705 184.2
[M+K]+ 366.08639 177.6
[M+H-H2O]+ 310.12049 162.8
[M+HCOO]- 372.12143 192.8
[M+CH3COO]- 386.13708 184.4
[M+Na-2H]- 348.09790 180.0
[M]+ 327.12268 175.4
[M]- 327.12378 175.4
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

patents stripe