CID 6481411

Schembl4245666

Structural Information

Molecular Formula
C21H22FN3O2
SMILES
C1CN(CCN1C(=O)CC2CNC3=C2C(=CC=C3)F)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H22FN3O2/c22-17-7-4-8-18-20(17)16(14-23-18)13-19(26)24-9-11-25(12-10-24)21(27)15-5-2-1-3-6-15/h1-8,16,23H,9-14H2
InChIKey
HRBHSBJXHORIKM-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-2,3-dihydro-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

367.16962 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17690 188.7
[M+Na]+ 390.15884 192.8
[M-H]- 366.16234 191.5
[M+NH4]+ 385.20344 197.9
[M+K]+ 406.13278 186.0
[M+H-H2O]+ 350.16688 176.8
[M+HCOO]- 412.16782 198.8
[M+CH3COO]- 426.18347 195.4
[M+Na-2H]- 388.14429 185.9
[M]+ 367.16907 181.2
[M]- 367.17017 181.2
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