CID 211544

23348-14-3

Structural Information

Molecular Formula
C24H27N3O2
SMILES
COC1=CC=CC(=C1)C2=NN(C(=O)C(=C2)C3=CC=CC=C3)CCN4CCCCC4
InChI
InChI=1S/C24H27N3O2/c1-29-21-12-8-11-20(17-21)23-18-22(19-9-4-2-5-10-19)24(28)27(25-23)16-15-26-13-6-3-7-14-26/h2,4-5,8-12,17-18H,3,6-7,13-16H2,1H3
InChIKey
JUCWRYLVUBHXMD-UHFFFAOYSA-N
Compound name
6-(3-methoxyphenyl)-4-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.21033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21761 198.3
[M+Na]+ 412.19955 203.4
[M-H]- 388.20305 205.5
[M+NH4]+ 407.24415 204.2
[M+K]+ 428.17349 196.2
[M+H-H2O]+ 372.20759 184.2
[M+HCOO]- 434.20853 213.3
[M+CH3COO]- 448.22418 205.6
[M+Na-2H]- 410.18500 199.5
[M]+ 389.20978 195.6
[M]- 389.21088 195.6
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.