CID 214456

Sep 357

Structural Information

Molecular Formula
C18H25N3O
SMILES
CCC1=CC(=NN(C1=O)CCN(CC)CC)C2=CC=CC=C2
InChI
InChI=1S/C18H25N3O/c1-4-15-14-17(16-10-8-7-9-11-16)19-21(18(15)22)13-12-20(5-2)6-3/h7-11,14H,4-6,12-13H2,1-3H3
InChIKey
MSKWBENUUPIDLA-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-4-ethyl-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20705 173.5
[M+Na]+ 322.18899 187.8
[M+NH4]+ 317.23359 180.7
[M+K]+ 338.16293 179.5
[M-H]- 298.19249 177.8
[M+Na-2H]- 320.17444 182.0
[M]+ 299.19922 176.8
[M]- 299.20032 176.8
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.