CID 507825

Chembl4573432

Structural Information

Molecular Formula
C26H23N3O5
SMILES
COC1=C2C(=CNC2=C(C=C1)C3=CC=CO3)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C26H23N3O5/c1-33-21-10-9-18(20-8-5-15-34-20)23-22(21)19(16-27-23)24(30)26(32)29-13-11-28(12-14-29)25(31)17-6-3-2-4-7-17/h2-10,15-16,27H,11-14H2,1H3
InChIKey
SEYFLTKCDPXVFU-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-4-methoxy-1H-indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

457.16376 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.17104 206.3
[M+Na]+ 480.15298 211.0
[M-H]- 456.15648 215.9
[M+NH4]+ 475.19758 211.8
[M+K]+ 496.12692 207.1
[M+H-H2O]+ 440.16102 195.8
[M+HCOO]- 502.16196 219.4
[M+CH3COO]- 516.17761 213.6
[M+Na-2H]- 478.13843 201.8
[M]+ 457.16321 206.5
[M]- 457.16431 206.5
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.