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 180.8
[M+Na]+ 364.11872 190.4
[M-H]- 340.12222 186.9
[M+NH4]+ 359.16332 194.0
[M+K]+ 380.09266 183.9
[M+H-H2O]+ 324.12676 170.7
[M+HCOO]- 386.12770 197.6
[M+CH3COO]- 400.14335 191.6
[M+Na-2H]- 362.10417 185.6
[M]+ 341.12895 186.2
[M]- 341.13005 186.2
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.