CID 5459373

Imidazopyridazin 1

Structural Information

Molecular Formula
C18H18N4O
SMILES
CC(=O)C1=CC=CC(=C1)C2=CN=C3N2N=C(C=C3)NCC4CC4
InChI
InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)
InChIKey
IVUBNTNWKIPCPS-UHFFFAOYSA-N
Compound name
1-[3-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

306.14807 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.155346 176.3
[M+Na]+ 329.137288 187.0
[M-H]- 305.140794 183.9
[M+NH4]+ 324.181893 184.9
[M+K]+ 345.111228 179.6
[M+H-H2O]+ 289.145330 166.6
[M+HCOO]- 351.146271 198.2
[M+CH3COO]- 365.161921 186.9
[M+Na-2H]- 327.122736 180.4
[M]+ 306.14752142 180.4
[M]- 306.14861858 180.4
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