CID 6481417

Piperazine, 1-benzoyl-4-[(4-fluoro-1h-indol-3-yl)carbonyl]-

Structural Information

Molecular Formula
C20H18FN3O2
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C20H18FN3O2/c21-16-7-4-8-17-18(16)15(13-22-17)20(26)24-11-9-23(10-12-24)19(25)14-5-2-1-3-6-14/h1-8,13,22H,9-12H2
InChIKey
JXRPAXBNASLETK-UHFFFAOYSA-N
Compound name
[4-(4-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.1383 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14558 182.3
[M+Na]+ 374.12752 188.9
[M-H]- 350.13102 186.2
[M+NH4]+ 369.17212 192.5
[M+K]+ 390.10146 182.0
[M+H-H2O]+ 334.13556 170.8
[M+HCOO]- 396.13650 195.7
[M+CH3COO]- 410.15215 190.6
[M+Na-2H]- 372.11297 182.2
[M]+ 351.13775 177.4
[M]- 351.13885 177.4
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

patents stripe