CID 3057190

Hl 2198

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CN(C)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H23N3O2/c1-22(2)12-13-23-20(24)18-7-5-4-6-17(18)19(21-23)14-15-8-10-16(25-3)11-9-15/h4-11H,12-14H2,1-3H3
InChIKey
IPZSNAAXCPBAGG-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-4-[(4-methoxyphenyl)methyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.186296 182.3
[M+Na]+ 360.168238 190.6
[M-H]- 336.171744 188.6
[M+NH4]+ 355.212843 194.7
[M+K]+ 376.142178 186.0
[M+H-H2O]+ 320.176280 171.4
[M+HCOO]- 382.177221 203.6
[M+CH3COO]- 396.192871 219.2
[M+Na-2H]- 358.153686 187.1
[M]+ 337.17847142 187.2
[M]- 337.17956858 187.2
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.