CID 208810

Ag 271

Structural Information

Molecular Formula
C20H21N3O2
SMILES
C1COCCN1CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3O2/c24-20-18-9-5-4-8-17(18)19(16-6-2-1-3-7-16)21-23(20)11-10-22-12-14-25-15-13-22/h1-9H,10-15H2
InChIKey
FORPTELLPAQWBV-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 181.8
[M+Na]+ 358.15262 188.3
[M-H]- 334.15612 187.7
[M+NH4]+ 353.19722 189.9
[M+K]+ 374.12656 182.8
[M+H-H2O]+ 318.16066 169.0
[M+HCOO]- 380.16160 196.0
[M+CH3COO]- 394.17725 190.5
[M+Na-2H]- 356.13807 186.9
[M]+ 335.16285 179.5
[M]- 335.16395 179.5
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.