CID 209135

6-isopropoxy-2-(alpha-(morpholinomethyl)benzyl)-3(2h)-pyridazinone maleate

Structural Information

Molecular Formula
C19H25N3O3
SMILES
CC(C)OC1=NN(C(=O)C=C1)C(CN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C19H25N3O3/c1-15(2)25-18-8-9-19(23)22(20-18)17(16-6-4-3-5-7-16)14-21-10-12-24-13-11-21/h3-9,15,17H,10-14H2,1-2H3
InChIKey
QVPOBQILWKRSDC-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-yl-1-phenylethyl)-6-propan-2-yloxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1896 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 183.3
[M+Na]+ 366.17882 187.2
[M-H]- 342.18232 188.2
[M+NH4]+ 361.22342 189.9
[M+K]+ 382.15276 184.4
[M+H-H2O]+ 326.18686 171.2
[M+HCOO]- 388.18780 196.5
[M+CH3COO]- 402.20345 211.6
[M+Na-2H]- 364.16427 184.9
[M]+ 343.18905 182.1
[M]- 343.19015 182.1
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.