CID 506251

Chembl523362

Structural Information

Molecular Formula
C22H20FN3O4
SMILES
COC1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H20FN3O4/c1-30-17-8-7-16(23)18-15(13-24-19(17)18)20(27)22(29)26-11-9-25(10-12-26)21(28)14-5-3-2-4-6-14/h2-8,13,24H,9-12H2,1H3
InChIKey
YAGOLAYHFSZMTF-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-methoxy-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

409.1438 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15108 195.3
[M+Na]+ 432.13302 201.2
[M-H]- 408.13652 199.3
[M+NH4]+ 427.17762 202.8
[M+K]+ 448.10696 195.5
[M+H-H2O]+ 392.14106 183.7
[M+HCOO]- 454.14200 207.4
[M+CH3COO]- 468.15765 220.8
[M+Na-2H]- 430.11847 192.7
[M]+ 409.14325 192.9
[M]- 409.14435 192.9
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.