CID 204348

Hl 2188

Structural Information

Molecular Formula
C20H23N3O
SMILES
CN(C)CCCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=CC=C3
InChI
InChI=1S/C20H23N3O/c1-22(2)13-8-14-23-20(24)18-12-7-6-11-17(18)19(21-23)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKey
DCDHLEUAMOTRGE-UHFFFAOYSA-N
Compound name
4-benzyl-2-[3-(dimethylamino)propyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.191376 178.8
[M+Na]+ 344.173318 186.3
[M-H]- 320.176824 184.6
[M+NH4]+ 339.217923 191.5
[M+K]+ 360.147258 181.0
[M+H-H2O]+ 304.181360 167.8
[M+HCOO]- 366.182301 199.9
[M+CH3COO]- 380.197951 215.9
[M+Na-2H]- 342.158766 184.3
[M]+ 321.18355142 181.8
[M]- 321.18464858 181.8
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.