CID 506299

Methyl 3-[2-(4-benzoyl-3-methyl-piperazin-1-yl)-2-oxo-acetyl]-1h-indole-7-carboxylate

Structural Information

Molecular Formula
C24H23N3O5
SMILES
CC1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=CC=C4C(=O)OC
InChI
InChI=1S/C24H23N3O5/c1-15-14-26(11-12-27(15)22(29)16-7-4-3-5-8-16)23(30)21(28)19-13-25-20-17(19)9-6-10-18(20)24(31)32-2/h3-10,13,15,25H,11-12,14H2,1-2H3
InChIKey
LYGUNVPTZAFTJV-UHFFFAOYSA-N
Compound name
methyl 3-[2-(4-benzoyl-3-methylpiperazin-1-yl)-2-oxoacetyl]-1H-indole-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.16376 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17104 201.7
[M+Na]+ 456.15298 206.3
[M-H]- 432.15648 207.0
[M+NH4]+ 451.19758 208.1
[M+K]+ 472.12692 201.7
[M+H-H2O]+ 416.16102 191.1
[M+HCOO]- 478.16196 213.5
[M+CH3COO]- 492.17761 225.9
[M+Na-2H]- 454.13843 198.0
[M]+ 433.16321 201.0
[M]- 433.16431 201.0
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.