CID 506474

1h-indole-1-carboxamide, 3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-4-fluoro-n-methyl-n-phenyl-

Structural Information

Molecular Formula
C29H25FN4O4
SMILES
CN(C1=CC=CC=C1)C(=O)N2C=C(C3=C2C=CC=C3F)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H25FN4O4/c1-31(21-11-6-3-7-12-21)29(38)34-19-22(25-23(30)13-8-14-24(25)34)26(35)28(37)33-17-15-32(16-18-33)27(36)20-9-4-2-5-10-20/h2-14,19H,15-18H2,1H3
InChIKey
NETYKFSIXCRQDQ-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-N-phenylindole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.19328 220.1
[M+Na]+ 535.17522 223.3
[M-H]- 511.17872 229.2
[M+NH4]+ 530.21982 223.3
[M+K]+ 551.14916 218.3
[M+H-H2O]+ 495.18326 206.2
[M+HCOO]- 557.18420 232.9
[M+CH3COO]- 571.19985 225.7
[M+Na-2H]- 533.16067 216.1
[M]+ 512.18545 218.2
[M]- 512.18655 218.2
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.