CID 506389

1-(4,7-difluoro-1h-indol-3-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C21H19F2N3O4
SMILES
CC1=C(OC(=C1)C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)F)C
InChI
InChI=1S/C21H19F2N3O4/c1-11-9-16(30-12(11)2)20(28)25-5-7-26(8-6-25)21(29)19(27)13-10-24-18-15(23)4-3-14(22)17(13)18/h3-4,9-10,24H,5-8H2,1-2H3
InChIKey
MGDFSEZANFRDMV-UHFFFAOYSA-N
Compound name
1-(4,7-difluoro-1H-indol-3-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.13437 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14165 195.9
[M+Na]+ 438.12359 204.3
[M-H]- 414.12709 200.9
[M+NH4]+ 433.16819 204.7
[M+K]+ 454.09753 199.7
[M+H-H2O]+ 398.13163 185.9
[M+HCOO]- 460.13257 207.5
[M+CH3COO]- 474.14822 223.2
[M+Na-2H]- 436.10904 189.3
[M]+ 415.13382 194.9
[M]- 415.13492 194.9
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.