CID 3040072

Brn 0904128

Structural Information

Molecular Formula
C30H30N2O4
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)CC3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C30H30N2O4/c1-36-25-13-11-23(12-14-25)32-19-17-31(18-20-32)16-15-24(33)21-30(22-7-3-2-4-8-22)28(34)26-9-5-6-10-27(26)29(30)35/h2-14H,15-21H2,1H3
InChIKey
NWINLHMRFDWPGC-UHFFFAOYSA-N
Compound name
2-[4-[4-(4-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 220.4
[M+Na]+ 505.20977 224.6
[M-H]- 481.21327 230.0
[M+NH4]+ 500.25437 228.3
[M+K]+ 521.18371 218.0
[M+H-H2O]+ 465.21781 207.2
[M+HCOO]- 527.21875 233.6
[M+CH3COO]- 541.23440 226.7
[M+Na-2H]- 503.19522 216.9
[M]+ 482.22000 219.0
[M]- 482.22110 219.0
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.