CID 567907

Phenol, 2-(5-methyl-6-((2-(4-morpholinyl)ethyl)amino)-3-pyridazinyl)-, dihydrobromide

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3O
InChI
InChI=1S/C17H22N4O2/c1-13-12-15(14-4-2-3-5-16(14)22)19-20-17(13)18-6-7-21-8-10-23-11-9-21/h2-5,12,22H,6-11H2,1H3,(H,18,20)
InChIKey
REFZROXNVUOVOR-UHFFFAOYSA-N
Compound name
2-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

314.1743 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.181576 177.2
[M+Na]+ 337.163518 182.2
[M-H]- 313.167024 181.3
[M+NH4]+ 332.208123 184.6
[M+K]+ 353.137458 177.8
[M+H-H2O]+ 297.171560 165.5
[M+HCOO]- 359.172501 192.4
[M+CH3COO]- 373.188151 185.6
[M+Na-2H]- 335.148966 181.5
[M]+ 314.17375142 173.8
[M]- 314.17484858 173.8
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

patents stripe