CID 506433

1-(4-benzoylpiperazin-1-yl)-2-[1-(2-dimethylaminoethyl)-4-fluoro-indol-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C25H27FN4O3
SMILES
CN(C)CCN1C=C(C2=C1C=CC=C2F)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H27FN4O3/c1-27(2)11-12-30-17-19(22-20(26)9-6-10-21(22)30)23(31)25(33)29-15-13-28(14-16-29)24(32)18-7-4-3-5-8-18/h3-10,17H,11-16H2,1-2H3
InChIKey
HDORUKFXMKXHFV-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[1-[2-(dimethylamino)ethyl]-4-fluoroindol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.20673 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21401 208.4
[M+Na]+ 473.19595 212.8
[M-H]- 449.19945 214.6
[M+NH4]+ 468.24055 215.3
[M+K]+ 489.16989 207.9
[M+H-H2O]+ 433.20399 195.7
[M+HCOO]- 495.20493 222.3
[M+CH3COO]- 509.22058 237.6
[M+Na-2H]- 471.18140 204.8
[M]+ 450.20618 208.0
[M]- 450.20728 208.0
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.