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
3
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]+ 354.192456 187.3
[M+Na]+ 376.174398 195.8
[M-H]- 352.177904 191.8
[M+NH4]+ 371.219003 194.4
[M+K]+ 392.148338 190.6
[M+H-H2O]+ 336.182440 174.5
[M+HCOO]- 398.183381 201.2
[M+CH3COO]- 412.199031 196.0
[M+Na-2H]- 374.159846 189.6
[M]+ 353.18463142 189.2
[M]- 353.18572858 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

literature stripe

Patent stripe

patents stripe