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

literature stripe

Patent stripe

patents stripe