CID 506301

1-[(2r)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4,7-difluoro-1h-indol-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C22H19F2N3O3
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)F)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H19F2N3O3/c1-13-12-26(21(29)14-5-3-2-4-6-14)9-10-27(13)22(30)20(28)15-11-25-19-17(24)8-7-16(23)18(15)19/h2-8,11,13,25H,9-10,12H2,1H3/t13-/m1/s1
InChIKey
GNLYQHJVDONYBZ-CYBMUJFWSA-N
Compound name
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4,7-difluoro-1H-indol-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

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14671 196.3
[M+Na]+ 434.12865 203.5
[M-H]- 410.13215 199.4
[M+NH4]+ 429.17325 204.2
[M+K]+ 450.10259 196.5
[M+H-H2O]+ 394.13669 184.1
[M+HCOO]- 456.13763 207.2
[M+CH3COO]- 470.15328 203.6
[M+Na-2H]- 432.11410 192.2
[M]+ 411.13888 192.0
[M]- 411.13998 192.0
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.