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 198.1
[M+Na]+ 421.12710 209.0
[M-H]- 397.13060 203.0
[M+NH4]+ 416.17170 207.7
[M+K]+ 437.10104 200.1
[M+H-H2O]+ 381.13514 186.1
[M+HCOO]- 443.13608 211.5
[M+CH3COO]- 457.15173 206.5
[M+Na-2H]- 419.11255 201.1
[M]+ 398.13733 198.1
[M]- 398.13843 198.1
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