CID 165402525

Schembl24688184

Structural Information

Molecular Formula
C23H18N4O3
SMILES
C[C@]1(C2=CC=CC=C2N(C1=O)C3=CN=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)O
InChI
InChI=1S/C23H18N4O3/c1-23(30)18-8-4-5-9-20(18)27(22(23)29)15-10-14(12-24-13-15)11-19-16-6-2-3-7-17(16)21(28)26-25-19/h2-10,12-13,30H,11H2,1H3,(H,26,28)/t23-/m1/s1
InChIKey
OLOFBIURDFFOBU-HSZRJFAPSA-N
Compound name
4-[[5-[(3R)-3-hydroxy-3-methyl-2-oxoindol-1-yl]pyridin-3-yl]methyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

398.13788 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14516 197.0
[M+Na]+ 421.12710 213.9
[M+NH4]+ 416.17170 204.5
[M+K]+ 437.10104 205.6
[M-H]- 397.13060 201.1
[M+Na-2H]- 419.11255 205.5
[M]+ 398.13733 200.8
[M]- 398.13843 200.8
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

patents stripe