CID 506461

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

Structural Information

Molecular Formula
C29H25N3O5
SMILES
COC1=CC=CC=C1C(=O)N2C=C(C3=CC=CC=C32)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H25N3O5/c1-37-25-14-8-6-12-22(25)28(35)32-19-23(21-11-5-7-13-24(21)32)26(33)29(36)31-17-15-30(16-18-31)27(34)20-9-3-2-4-10-20/h2-14,19H,15-18H2,1H3
InChIKey
WOWHPIMWLURUOO-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[1-(2-methoxybenzoyl)indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.1794 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.18668 217.3
[M+Na]+ 518.16862 220.8
[M-H]- 494.17212 226.4
[M+NH4]+ 513.21322 220.8
[M+K]+ 534.14256 215.8
[M+H-H2O]+ 478.17666 204.4
[M+HCOO]- 540.17760 229.7
[M+CH3COO]- 554.19325 223.2
[M+Na-2H]- 516.15407 213.6
[M]+ 495.17885 216.9
[M]- 495.17995 216.9
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.