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]+ 328.20195 181.5
[M+Na]+ 350.18389 186.9
[M-H]- 326.18739 186.7
[M+NH4]+ 345.22849 189.3
[M+K]+ 366.15783 182.9
[M+H-H2O]+ 310.19193 169.6
[M+HCOO]- 372.19287 195.6
[M+CH3COO]- 386.20852 190.1
[M+Na-2H]- 348.16934 183.3
[M]+ 327.19412 179.9
[M]- 327.19522 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.