CID 9579184

Schembl6442938

Structural Information

Molecular Formula
C22H19FN4O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)/C=N/O
InChI
InChI=1S/C22H19FN4O4/c23-17-7-6-15(12-25-31)19-18(17)16(13-24-19)20(28)22(30)27-10-8-26(9-11-27)21(29)14-4-2-1-3-5-14/h1-7,12-13,24,31H,8-11H2/b25-12+
InChIKey
MUUQILCHUIIWAJ-BRJLIKDPSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-[(E)-hydroxyiminomethyl]-1H-indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

422.13904 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14632 197.2
[M+Na]+ 445.12826 202.5
[M-H]- 421.13176 201.3
[M+NH4]+ 440.17286 203.8
[M+K]+ 461.10220 196.4
[M+H-H2O]+ 405.13630 185.5
[M+HCOO]- 467.13724 210.6
[M+CH3COO]- 481.15289 224.8
[M+Na-2H]- 443.11371 195.6
[M]+ 422.13849 193.5
[M]- 422.13959 193.5
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.