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]+ 298.191376 172.2
[M+Na]+ 320.173318 179.2
[M-H]- 296.176824 177.5
[M+NH4]+ 315.217923 184.8
[M+K]+ 336.147258 173.5
[M+H-H2O]+ 280.181360 161.2
[M+HCOO]- 342.182301 190.7
[M+CH3COO]- 356.197951 182.4
[M+Na-2H]- 318.158766 173.2
[M]+ 297.18355142 171.2
[M]- 297.18464858 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.