CID 6918099

Chembl418565

Structural Information

Molecular Formula
C18H20N4O6
SMILES
COC1=CC(=CC(=C1OC)OC)COC2=NN3C=C(N=C3C=C2)NC(=O)OC
InChI
InChI=1S/C18H20N4O6/c1-24-12-7-11(8-13(25-2)17(12)26-3)10-28-16-6-5-15-19-14(9-22(15)21-16)20-18(23)27-4/h5-9H,10H2,1-4H3,(H,20,23)
InChIKey
UMSHZWFCVXIDEO-UHFFFAOYSA-N
Compound name
methyl N-[6-[(3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

17
Patents

388.13828 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14556 187.7
[M+Na]+ 411.12750 197.1
[M-H]- 387.13100 192.9
[M+NH4]+ 406.17210 197.9
[M+K]+ 427.10144 195.1
[M+H-H2O]+ 371.13554 177.3
[M+HCOO]- 433.13648 209.8
[M+CH3COO]- 447.15213 221.7
[M+Na-2H]- 409.11295 191.4
[M]+ 388.13773 198.7
[M]- 388.13883 198.7
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

patents stripe