CID 51352628

Jnj-42396302

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CC1=C(N2C(=N1)C(=CC=N2)N3CCOCC3)C4=CN=C(C=C4)CCOC
InChI
InChI=1S/C19H23N5O2/c1-14-18(15-3-4-16(20-13-15)6-10-25-2)24-19(22-14)17(5-7-21-24)23-8-11-26-12-9-23/h3-5,7,13H,6,8-12H2,1-2H3
InChIKey
BPLVDYJDAVYLRQ-UHFFFAOYSA-N
Compound name
4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

25
Patents

353.18518 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 187.3
[M+Na]+ 376.17440 195.8
[M-H]- 352.17790 191.8
[M+NH4]+ 371.21900 194.4
[M+K]+ 392.14834 190.6
[M+H-H2O]+ 336.18244 174.5
[M+HCOO]- 398.18338 201.2
[M+CH3COO]- 412.19903 196.0
[M+Na-2H]- 374.15985 189.6
[M]+ 353.18463 189.2
[M]- 353.18573 189.2
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.