CID 211553

23348-34-7

Structural Information

Molecular Formula
C23H25N3O3
SMILES
COC1=CC=CC=C1C2=NN(C(=O)C(=C2)C3=CC=CC=C3)CCN4CCOCC4
InChI
InChI=1S/C23H25N3O3/c1-28-22-10-6-5-9-19(22)21-17-20(18-7-3-2-4-8-18)23(27)26(24-21)12-11-25-13-15-29-16-14-25/h2-10,17H,11-16H2,1H3
InChIKey
QDSJCVRNFNQPAX-UHFFFAOYSA-N
Compound name
6-(2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-4-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 197.7
[M+Na]+ 414.17882 203.4
[M-H]- 390.18232 205.9
[M+NH4]+ 409.22342 202.3
[M+K]+ 430.15276 198.2
[M+H-H2O]+ 374.18686 183.7
[M+HCOO]- 436.18780 212.5
[M+CH3COO]- 450.20345 205.5
[M+Na-2H]- 412.16427 199.9
[M]+ 391.18905 196.7
[M]- 391.19015 196.7
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.