CID 506467

Phenyl 3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]indole-1-carboxylate

Structural Information

Molecular Formula
C28H23N3O5
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=CC=CC=C43)C(=O)OC5=CC=CC=C5
InChI
InChI=1S/C28H23N3O5/c32-25(27(34)30-17-15-29(16-18-30)26(33)20-9-3-1-4-10-20)23-19-31(24-14-8-7-13-22(23)24)28(35)36-21-11-5-2-6-12-21/h1-14,19H,15-18H2
InChIKey
USAFJVQYXVZWRZ-UHFFFAOYSA-N
Compound name
phenyl 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.16376 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.17104 212.8
[M+Na]+ 504.15298 216.0
[M-H]- 480.15648 221.7
[M+NH4]+ 499.19758 216.7
[M+K]+ 520.12692 211.1
[M+H-H2O]+ 464.16102 199.9
[M+HCOO]- 526.16196 225.6
[M+CH3COO]- 540.17761 218.9
[M+Na-2H]- 502.13843 210.3
[M]+ 481.16321 211.6
[M]- 481.16431 211.6
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.