CID 506277

[2-[4-[2-(4-fluoro-1h-indol-3-yl)-2-oxo-acetyl]piperazine-1-carbonyl]phenyl] acetate

Structural Information

Molecular Formula
C23H20FN3O5
SMILES
CC(=O)OC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C23H20FN3O5/c1-14(28)32-19-8-3-2-5-15(19)22(30)26-9-11-27(12-10-26)23(31)21(29)16-13-25-18-7-4-6-17(24)20(16)18/h2-8,13,25H,9-12H2,1H3
InChIKey
UUWPJSFNKWRESK-UHFFFAOYSA-N
Compound name
[2-[4-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]piperazine-1-carbonyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1387 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.14598 200.3
[M+Na]+ 460.12792 205.5
[M-H]- 436.13142 204.4
[M+NH4]+ 455.17252 206.5
[M+K]+ 476.10186 200.5
[M+H-H2O]+ 420.13596 188.9
[M+HCOO]- 482.13690 211.4
[M+CH3COO]- 496.15255 225.6
[M+Na-2H]- 458.11337 196.5
[M]+ 437.13815 198.4
[M]- 437.13925 198.4
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

No patent data available for this compound.