CID 208378

Sep 356

Structural Information

Molecular Formula
C18H23N3O
SMILES
CCC1=CC(=NN(C1=O)CCN2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H23N3O/c1-2-15-14-17(16-8-4-3-5-9-16)19-21(18(15)22)13-12-20-10-6-7-11-20/h3-5,8-9,14H,2,6-7,10-13H2,1H3
InChIKey
YSFBXNRLNGKIKG-UHFFFAOYSA-N
Compound name
4-ethyl-6-phenyl-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 172.2
[M+Na]+ 320.17332 179.2
[M-H]- 296.17682 177.5
[M+NH4]+ 315.21792 184.8
[M+K]+ 336.14726 173.5
[M+H-H2O]+ 280.18136 161.2
[M+HCOO]- 342.18230 190.7
[M+CH3COO]- 356.19795 182.4
[M+Na-2H]- 318.15877 173.2
[M]+ 297.18355 171.2
[M]- 297.18465 171.2
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.