CID 507861

Schembl6445221

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(=O)N
InChI
InChI=1S/C22H19FN4O4/c23-16-7-6-14(20(24)29)18-17(16)15(12-25-18)19(28)22(31)27-10-8-26(9-11-27)21(30)13-4-2-1-3-5-13/h1-7,12,25H,8-11H2,(H2,24,29)
InChIKey
XQYKCSDFNMVBMY-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

422.13904 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14632 196.8
[M+Na]+ 445.12826 201.7
[M-H]- 421.13176 200.6
[M+NH4]+ 440.17286 203.1
[M+K]+ 461.10220 196.0
[M+H-H2O]+ 405.13630 185.5
[M+HCOO]- 467.13724 208.6
[M+CH3COO]- 481.15289 226.0
[M+Na-2H]- 443.11371 193.3
[M]+ 422.13849 191.8
[M]- 422.13959 191.8
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.