CID 6419800

4-(6-{[(1s)-1-(hydroxymethyl)-2-methylpropyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzonitrile

Structural Information

Molecular Formula
C18H19N5O
SMILES
CC(C)[C@@H](CO)NC1=NN2C(=NC=C2C3=CC=C(C=C3)C#N)C=C1
InChI
InChI=1S/C18H19N5O/c1-12(2)15(11-24)21-17-7-8-18-20-10-16(23(18)22-17)14-5-3-13(9-19)4-6-14/h3-8,10,12,15,24H,11H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKey
CQZVJEKKNHOFNB-OAHLLOKOSA-N
Compound name
4-[6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21766
References

10
Patents

321.15897 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16625 178.4
[M+Na]+ 344.14819 187.6
[M-H]- 320.15169 179.0
[M+NH4]+ 339.19279 188.4
[M+K]+ 360.12213 180.5
[M+H-H2O]+ 304.15623 161.6
[M+HCOO]- 366.15717 193.1
[M+CH3COO]- 380.17282 186.1
[M+Na-2H]- 342.13364 180.4
[M]+ 321.15842 174.1
[M]- 321.15952 174.1
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.