CID 507960

1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-[4-fluoro-7-(1,2,4-oxadiazol-5-yl)-1h-indol-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C25H22FN5O6
SMILES
COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NC=NO5)OC
InChI
InChI=1S/C25H22FN5O6/c1-35-18-6-3-14(11-19(18)36-2)24(33)30-7-9-31(10-8-30)25(34)22(32)16-12-27-21-15(23-28-13-29-37-23)4-5-17(26)20(16)21/h3-6,11-13,27H,7-10H2,1-2H3
InChIKey
SLJXGPHFZHEBRD-UHFFFAOYSA-N
Compound name
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-[4-fluoro-7-(1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.15543 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.16271 214.8
[M+Na]+ 530.14465 221.2
[M-H]- 506.14815 221.7
[M+NH4]+ 525.18925 215.9
[M+K]+ 546.11859 217.3
[M+H-H2O]+ 490.15269 202.7
[M+HCOO]- 552.15363 224.5
[M+CH3COO]- 566.16928 221.0
[M+Na-2H]- 528.13010 209.1
[M]+ 507.15488 217.0
[M]- 507.15598 217.0
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.