CID 506342

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

Structural Information

Molecular Formula
C23H22FN3O4
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)OC)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H22FN3O4/c1-14-13-26(22(29)15-6-4-3-5-7-15)10-11-27(14)23(30)21(28)16-12-25-20-18(31-2)9-8-17(24)19(16)20/h3-9,12,14,25H,10-11,13H2,1-2H3/t14-/m1/s1
InChIKey
WPTPYTSNAJPVNP-CQSZACIVSA-N
Compound name
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-fluoro-7-methoxy-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.15942 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.16670 200.1
[M+Na]+ 446.14864 206.5
[M-H]- 422.15214 204.4
[M+NH4]+ 441.19324 207.4
[M+K]+ 462.12258 200.6
[M+H-H2O]+ 406.15668 188.6
[M+HCOO]- 468.15762 211.8
[M+CH3COO]- 482.17327 225.0
[M+Na-2H]- 444.13409 196.3
[M]+ 423.15887 198.5
[M]- 423.15997 198.5
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.