CID 46937115

(2s)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol

Structural Information

Molecular Formula
C17H21N5O
SMILES
CC(C)[C@@H](CO)NC1=NN2C(=NC=C2C3=CC(=CC=C3)N)C=C1
InChI
InChI=1S/C17H21N5O/c1-11(2)14(10-23)20-16-6-7-17-19-9-15(22(17)21-16)12-4-3-5-13(18)8-12/h3-9,11,14,23H,10,18H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKey
PUMVONFFLKPPIM-CQSZACIVSA-N
Compound name
(2S)-2-[[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

311.17462 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18190 173.4
[M+Na]+ 334.16384 180.8
[M-H]- 310.16734 176.2
[M+NH4]+ 329.20844 185.4
[M+K]+ 350.13778 175.4
[M+H-H2O]+ 294.17188 163.8
[M+HCOO]- 356.17282 193.0
[M+CH3COO]- 370.18847 183.2
[M+Na-2H]- 332.14929 176.8
[M]+ 311.17407 173.4
[M]- 311.17517 173.4
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