CID 506427

1h-indole-1-acetamide, 3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-n,n-diethyl-4,7-difluoro-

Structural Information

Molecular Formula
C27H28F2N4O4
SMILES
CCN(CC)C(=O)CN1C=C(C2=C(C=CC(=C21)F)F)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H28F2N4O4/c1-3-30(4-2)22(34)17-33-16-19(23-20(28)10-11-21(29)24(23)33)25(35)27(37)32-14-12-31(13-15-32)26(36)18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3
InChIKey
RCOZWHXKMKVYBC-UHFFFAOYSA-N
Compound name
2-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4,7-difluoroindol-1-yl]-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.20786 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.21514 221.2
[M+Na]+ 533.19708 225.4
[M-H]- 509.20058 226.2
[M+NH4]+ 528.24168 225.6
[M+K]+ 549.17102 220.6
[M+H-H2O]+ 493.20512 207.9
[M+HCOO]- 555.20606 232.7
[M+CH3COO]- 569.22171 248.9
[M+Na-2H]- 531.18253 214.6
[M]+ 510.20731 221.0
[M]- 510.20841 221.0
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.