CID 454640

2-[2-hydroxy-3-[4-[(2-oxo-1-phenyl-indolin-3-yl)methyl]-1-piperidyl]propyl]isoindoline-1,3-dione

Structural Information

Molecular Formula
C31H31N3O4
SMILES
C1CN(CCC1CC2C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)CC(CN5C(=O)C6=CC=CC=C6C5=O)O
InChI
InChI=1S/C31H31N3O4/c35-23(20-33-29(36)25-11-4-5-12-26(25)30(33)37)19-32-16-14-21(15-17-32)18-27-24-10-6-7-13-28(24)34(31(27)38)22-8-2-1-3-9-22/h1-13,21,23,27,35H,14-20H2
InChIKey
QHLVZMKYQSVGRO-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-[4-[(2-oxo-1-phenyl-3H-indol-3-yl)methyl]piperidin-1-yl]propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.23145 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.23873 225.1
[M+Na]+ 532.22067 228.7
[M-H]- 508.22417 233.7
[M+NH4]+ 527.26527 230.9
[M+K]+ 548.19461 221.0
[M+H-H2O]+ 492.22871 213.3
[M+HCOO]- 554.22965 234.1
[M+CH3COO]- 568.24530 230.1
[M+Na-2H]- 530.20612 217.0
[M]+ 509.23090 221.7
[M]- 509.23200 221.7
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.