CID 506476

3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-n,n-dimethyl-indole-1-carboxamide

Structural Information

Molecular Formula
C24H23FN4O4
SMILES
CN(C)C(=O)N1C=C(C2=C1C=CC=C2F)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H23FN4O4/c1-26(2)24(33)29-15-17(20-18(25)9-6-10-19(20)29)21(30)23(32)28-13-11-27(12-14-28)22(31)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKey
WHFIAHVHLFIACL-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N,N-dimethylindole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.17032 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.17760 204.8
[M+Na]+ 473.15954 209.6
[M-H]- 449.16304 211.5
[M+NH4]+ 468.20414 211.6
[M+K]+ 489.13348 205.8
[M+H-H2O]+ 433.16758 192.8
[M+HCOO]- 495.16852 218.6
[M+CH3COO]- 509.18417 236.0
[M+Na-2H]- 471.14499 201.1
[M]+ 450.16977 204.2
[M]- 450.17087 204.2
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.