CID 6479014

Chembl136339

Structural Information

Molecular Formula
C23H19FN4O2
SMILES
CCOC(=O)/C=C(\C1=CC=CC=C1)/C2=NN3C(=NC(=C3C4=CC=C(C=C4)F)N)C=C2
InChI
InChI=1S/C23H19FN4O2/c1-2-30-21(29)14-18(15-6-4-3-5-7-15)19-12-13-20-26-23(25)22(28(20)27-19)16-8-10-17(24)11-9-16/h3-14H,2,25H2,1H3/b18-14+
InChIKey
SDBPDLCRRBKCGI-NBVRZTHBSA-N
Compound name
ethyl (E)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.1492 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15648 197.1
[M+Na]+ 425.13842 205.6
[M-H]- 401.14192 202.9
[M+NH4]+ 420.18302 205.6
[M+K]+ 441.11236 198.1
[M+H-H2O]+ 385.14646 184.7
[M+HCOO]- 447.14740 215.5
[M+CH3COO]- 461.16305 205.8
[M+Na-2H]- 423.12387 197.8
[M]+ 402.14865 198.0
[M]- 402.14975 198.0
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.