CID 208806

Sep 349

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CCCCC1=CC(=NN(C1=O)CCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H27N3O2/c1-2-3-7-18-16-19(17-8-5-4-6-9-17)21-23(20(18)24)11-10-22-12-14-25-15-13-22/h4-6,8-9,16H,2-3,7,10-15H2,1H3
InChIKey
JVSZUQINIINUTD-UHFFFAOYSA-N
Compound name
4-butyl-2-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 186.1
[M+Na]+ 364.19955 191.3
[M-H]- 340.20305 191.0
[M+NH4]+ 359.24415 193.4
[M+K]+ 380.17349 186.6
[M+H-H2O]+ 324.20759 173.7
[M+HCOO]- 386.20853 200.8
[M+CH3COO]- 400.22418 211.9
[M+Na-2H]- 362.18500 188.4
[M]+ 341.20978 185.4
[M]- 341.21088 185.4
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.