CID 506475

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-1-(morpholine-4-carbonyl)indol-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C26H25FN4O5
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=C3C(=CC=C4)F)C(=O)N5CCOCC5
InChI
InChI=1S/C26H25FN4O5/c27-20-7-4-8-21-22(20)19(17-31(21)26(35)30-13-15-36-16-14-30)23(32)25(34)29-11-9-28(10-12-29)24(33)18-5-2-1-3-6-18/h1-8,17H,9-16H2
InChIKey
LLMAECMSCSKBAW-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-1-(morpholine-4-carbonyl)indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.1809 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.18818 214.6
[M+Na]+ 515.17012 217.2
[M-H]- 491.17362 221.0
[M+NH4]+ 510.21472 215.5
[M+K]+ 531.14406 213.0
[M+H-H2O]+ 475.17816 200.7
[M+HCOO]- 537.17910 220.6
[M+CH3COO]- 551.19475 219.1
[M+Na-2H]- 513.15557 209.0
[M]+ 492.18035 209.4
[M]- 492.18145 209.4
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.