CID 3052628

3(2h)-pyridazinone, 2-methyl-5-morpholino-4-pentoxy-

Structural Information

Molecular Formula
C14H23N3O3
SMILES
CCCCCOC1=C(C=NN(C1=O)C)N2CCOCC2
InChI
InChI=1S/C14H23N3O3/c1-3-4-5-8-20-13-12(11-15-16(2)14(13)18)17-6-9-19-10-7-17/h11H,3-10H2,1-2H3
InChIKey
IVWGULGPHCVFES-UHFFFAOYSA-N
Compound name
2-methyl-5-morpholin-4-yl-4-pentoxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.17395 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18123 167.9
[M+Na]+ 304.16317 174.4
[M-H]- 280.16667 170.4
[M+NH4]+ 299.20777 178.4
[M+K]+ 320.13711 172.5
[M+H-H2O]+ 264.17121 157.6
[M+HCOO]- 326.17215 183.7
[M+CH3COO]- 340.18780 200.2
[M+Na-2H]- 302.14862 171.3
[M]+ 281.17340 169.5
[M]- 281.17450 169.5
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

No patent data available for this compound.