CID 203096

Hl 2197

Structural Information

Molecular Formula
C19H20ClN3O
SMILES
CN(C)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClN3O/c1-22(2)11-12-23-19(24)17-6-4-3-5-16(17)18(21-23)13-14-7-9-15(20)10-8-14/h3-10H,11-13H2,1-2H3
InChIKey
WRGOSJVRKURGMQ-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]-2-[2-(dimethylamino)ethyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1295 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13678 180.1
[M+Na]+ 364.11872 197.4
[M+NH4]+ 359.16332 188.6
[M+K]+ 380.09266 187.4
[M-H]- 340.12222 185.6
[M+Na-2H]- 362.10417 189.4
[M]+ 341.12895 184.6
[M]- 341.13005 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.