CID 506383

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

Structural Information

Molecular Formula
C19H14ClF2N3O4
SMILES
C1CN(CCN1C(=O)C2=CC=C(O2)Cl)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)F
InChI
InChI=1S/C19H14ClF2N3O4/c20-14-4-3-13(29-14)18(27)24-5-7-25(8-6-24)19(28)17(26)10-9-23-16-12(22)2-1-11(21)15(10)16/h1-4,9,23H,5-8H2
InChIKey
DGRNXTYPXGJWBM-UHFFFAOYSA-N
Compound name
1-[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]-2-(4,7-difluoro-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.0641 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.07138 192.4
[M+Na]+ 444.05332 201.5
[M-H]- 420.05682 197.1
[M+NH4]+ 439.09792 201.6
[M+K]+ 460.02726 195.9
[M+H-H2O]+ 404.06136 182.4
[M+HCOO]- 466.06230 200.1
[M+CH3COO]- 480.07795 201.0
[M+Na-2H]- 442.03877 187.1
[M]+ 421.06355 192.6
[M]- 421.06465 192.7
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.