CID 3040071

Brn 0904472

Structural Information

Molecular Formula
C30H30N2O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC(=O)CC3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C30H30N2O4/c1-36-27-14-8-7-13-26(27)32-19-17-31(18-20-32)16-15-23(33)21-30(22-9-3-2-4-10-22)28(34)24-11-5-6-12-25(24)29(30)35/h2-14H,15-21H2,1H3
InChIKey
NNTQQSZNSGPDRS-UHFFFAOYSA-N
Compound name
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxobutyl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.22055 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.22783 220.1
[M+Na]+ 505.20977 234.0
[M+NH4]+ 500.25437 227.5
[M+K]+ 521.18371 224.9
[M-H]- 481.21327 226.5
[M+Na-2H]- 503.19522 228.6
[M]+ 482.22000 224.0
[M]- 482.22110 224.0
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.