CID 506394

1-[(2r)-4-(5-bromofuran-2-carbonyl)-2-methyl-piperazin-1-yl]-2-(4,7-dimethoxy-1h-indol-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C22H22BrN3O6
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)OC)OC)C(=O)C4=CC=C(O4)Br
InChI
InChI=1S/C22H22BrN3O6/c1-12-11-25(21(28)16-6-7-17(23)32-16)8-9-26(12)22(29)20(27)13-10-24-19-15(31-3)5-4-14(30-2)18(13)19/h4-7,10,12,24H,8-9,11H2,1-3H3/t12-/m1/s1
InChIKey
FOOOKSNNLVUHTM-GFCCVEGCSA-N
Compound name
1-[(2R)-4-(5-bromofuran-2-carbonyl)-2-methylpiperazin-1-yl]-2-(4,7-dimethoxy-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.0692 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.07648 208.6
[M+Na]+ 526.05842 217.6
[M-H]- 502.06192 218.1
[M+NH4]+ 521.10302 217.7
[M+K]+ 542.03236 208.7
[M+H-H2O]+ 486.06646 206.8
[M+HCOO]- 548.06740 220.2
[M+CH3COO]- 562.08305 232.2
[M+Na-2H]- 524.04387 204.4
[M]+ 503.06865 230.5
[M]- 503.06975 230.5
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.