CID 506429

1-(4-benzoylpiperazin-1-yl)-2-(4,7-difluoro-1-methyl-indol-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C22H19F2N3O3
SMILES
CN1C=C(C2=C(C=CC(=C21)F)F)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H19F2N3O3/c1-25-13-15(18-16(23)7-8-17(24)19(18)25)20(28)22(30)27-11-9-26(10-12-27)21(29)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKey
FCZTXSFWRWUVRV-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(4,7-difluoro-1-methylindol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.13943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14671 196.3
[M+Na]+ 434.12865 204.0
[M-H]- 410.13215 200.7
[M+NH4]+ 429.17325 204.8
[M+K]+ 450.10259 197.7
[M+H-H2O]+ 394.13669 183.7
[M+HCOO]- 456.13763 208.6
[M+CH3COO]- 470.15328 204.2
[M+Na-2H]- 432.11410 192.5
[M]+ 411.13888 193.8
[M]- 411.13998 193.8
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.