CID 507826

Schembl6442229

Structural Information

Molecular Formula
C24H19FN4O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=CN=CO5
InChI
InChI=1S/C24H19FN4O4/c25-18-7-6-16(19-13-26-14-33-19)21-20(18)17(12-27-21)22(30)24(32)29-10-8-28(9-11-29)23(31)15-4-2-1-3-5-15/h1-7,12-14,27H,8-11H2
InChIKey
YUBUIMRLUDWMJJ-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1,3-oxazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

446.13904 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.14632 201.9
[M+Na]+ 469.12826 207.9
[M-H]- 445.13176 209.3
[M+NH4]+ 464.17286 206.6
[M+K]+ 485.10220 202.7
[M+H-H2O]+ 429.13630 190.1
[M+HCOO]- 491.13724 213.1
[M+CH3COO]- 505.15289 209.0
[M+Na-2H]- 467.11371 197.5
[M]+ 446.13849 199.8
[M]- 446.13959 199.8
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