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 173.7
[M+Na]+ 322.18899 180.9
[M-H]- 298.19249 178.9
[M+NH4]+ 317.23359 186.8
[M+K]+ 338.16293 176.8
[M+H-H2O]+ 282.19703 163.5
[M+HCOO]- 344.19797 195.9
[M+CH3COO]- 358.21362 212.3
[M+Na-2H]- 320.17444 177.2
[M]+ 299.19922 177.6
[M]- 299.20032 177.6
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.