CID 506425

1-(4-benzoylpiperazin-1-yl)-2-[1-(2-dimethylaminoethyl)-4,7-difluoro-indol-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C25H26F2N4O3
SMILES
CN(C)CCN1C=C(C2=C(C=CC(=C21)F)F)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H26F2N4O3/c1-28(2)10-11-31-16-18(21-19(26)8-9-20(27)22(21)31)23(32)25(34)30-14-12-29(13-15-30)24(33)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3
InChIKey
PFDVYVGJZNJKCT-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[1-[2-(dimethylamino)ethyl]-4,7-difluoroindol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.1973 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.20458 212.0
[M+Na]+ 491.18652 217.4
[M-H]- 467.19002 217.2
[M+NH4]+ 486.23112 218.4
[M+K]+ 507.16046 212.0
[M+H-H2O]+ 451.19456 198.6
[M+HCOO]- 513.19550 224.8
[M+CH3COO]- 527.21115 241.5
[M+Na-2H]- 489.17197 207.0
[M]+ 468.19675 211.1
[M]- 468.19785 211.1
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.