CID 211548

23348-26-7

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CCN(CC)CCN1C(=O)C(=CC(=N1)C2=CC(=CC=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C23H27N3O2/c1-4-25(5-2)14-15-26-23(27)21(18-10-7-6-8-11-18)17-22(24-26)19-12-9-13-20(16-19)28-3/h6-13,16-17H,4-5,14-15H2,1-3H3
InChIKey
OREYWAOOBQWFEY-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-6-(3-methoxyphenyl)-4-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.21033 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.217606 194.5
[M+Na]+ 400.199548 201.2
[M-H]- 376.203054 202.6
[M+NH4]+ 395.244153 203.7
[M+K]+ 416.173488 196.0
[M+H-H2O]+ 360.207590 182.2
[M+HCOO]- 422.208531 216.2
[M+CH3COO]- 436.224181 226.2
[M+Na-2H]- 398.184996 196.9
[M]+ 377.20978142 198.9
[M]- 377.21087858 198.9
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.