CID 506447

1-[1-(2-methoxybenzoyl)indol-3-yl]-2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C30H27N3O6
SMILES
COC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C(=O)C3=CN(C4=CC=CC=C43)C(=O)C5=CC=CC=C5OC
InChI
InChI=1S/C30H27N3O6/c1-38-25-13-7-4-10-21(25)28(35)31-15-17-32(18-16-31)30(37)27(34)23-19-33(24-12-6-3-9-20(23)24)29(36)22-11-5-8-14-26(22)39-2/h3-14,19H,15-18H2,1-2H3
InChIKey
HGBOQGYXLWJHOS-UHFFFAOYSA-N
Compound name
1-[1-(2-methoxybenzoyl)indol-3-yl]-2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.19 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.19728 223.9
[M+Na]+ 548.17922 227.4
[M-H]- 524.18272 233.2
[M+NH4]+ 543.22382 226.2
[M+K]+ 564.15316 223.3
[M+H-H2O]+ 508.18726 210.9
[M+HCOO]- 570.18820 236.0
[M+CH3COO]- 584.20385 245.0
[M+Na-2H]- 546.16467 219.3
[M]+ 525.18945 225.6
[M]- 525.19055 225.6
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.