CID 511050

Chembl341688

Structural Information

Molecular Formula
C19H14N4O
SMILES
C1=CC=C(C=C1)C2=C(N=C3N2N=C(C=C3)C(=O)C4=CC=CC=C4)N
InChI
InChI=1S/C19H14N4O/c20-19-17(13-7-3-1-4-8-13)23-16(21-19)12-11-15(22-23)18(24)14-9-5-2-6-10-14/h1-12H,20H2
InChIKey
QGLXOOKHEFCBSV-UHFFFAOYSA-N
Compound name
(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.11676 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12404 172.9
[M+Na]+ 337.10598 182.6
[M-H]- 313.10948 180.2
[M+NH4]+ 332.15058 185.1
[M+K]+ 353.07992 175.5
[M+H-H2O]+ 297.11402 162.0
[M+HCOO]- 359.11496 194.5
[M+CH3COO]- 373.13061 183.9
[M+Na-2H]- 335.09143 178.2
[M]+ 314.11621 173.2
[M]- 314.11731 173.2
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.