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]+ 338.18630 182.3
[M+Na]+ 360.16824 190.6
[M-H]- 336.17174 188.6
[M+NH4]+ 355.21284 194.7
[M+K]+ 376.14218 186.0
[M+H-H2O]+ 320.17628 171.4
[M+HCOO]- 382.17722 203.6
[M+CH3COO]- 396.19287 219.2
[M+Na-2H]- 358.15369 187.1
[M]+ 337.17847 187.2
[M]- 337.17957 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.