CID 209135

3(2h)-pyridazinone, 6-isopropoxy-2-(alpha-(morpholinomethyl)benzyl)-, maleate (1:1)

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]+ 344.196876 183.3
[M+Na]+ 366.178818 187.2
[M-H]- 342.182324 188.2
[M+NH4]+ 361.223423 189.9
[M+K]+ 382.152758 184.4
[M+H-H2O]+ 326.186860 171.2
[M+HCOO]- 388.187801 196.5
[M+CH3COO]- 402.203451 211.6
[M+Na-2H]- 364.164266 184.9
[M]+ 343.18905142 182.1
[M]- 343.19014858 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.