CID 208380

Sep 363

Structural Information

Molecular Formula
C19H25N3O2
SMILES
CCC1=CC(=NN(C1=O)C(C)CN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C19H25N3O2/c1-3-16-13-18(17-7-5-4-6-8-17)20-22(19(16)23)15(2)14-21-9-11-24-12-10-21/h4-8,13,15H,3,9-12,14H2,1-2H3
InChIKey
XXHGXBNAOJLISG-UHFFFAOYSA-N
Compound name
4-ethyl-2-(1-morpholin-4-ylpropan-2-yl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.201946 181.5
[M+Na]+ 350.183888 186.9
[M-H]- 326.187394 186.7
[M+NH4]+ 345.228493 189.3
[M+K]+ 366.157828 182.9
[M+H-H2O]+ 310.191930 169.6
[M+HCOO]- 372.192871 195.6
[M+CH3COO]- 386.208521 190.1
[M+Na-2H]- 348.169336 183.3
[M]+ 327.19412142 179.9
[M]- 327.19521858 179.9
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.