CID 506408

1-(7-bromo-4-methoxy-1h-indol-3-yl)-2-[(2r)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C22H21BrN4O4
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)OC)Br)C(=O)C4=CC=CC=N4
InChI
InChI=1S/C22H21BrN4O4/c1-13-12-26(21(29)16-5-3-4-8-24-16)9-10-27(13)22(30)20(28)14-11-25-19-15(23)6-7-17(31-2)18(14)19/h3-8,11,13,25H,9-10,12H2,1-2H3/t13-/m1/s1
InChIKey
FHAAUZWJLUYQFS-CYBMUJFWSA-N
Compound name
1-(7-bromo-4-methoxy-1H-indol-3-yl)-2-[(2R)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.07462 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.08190 203.5
[M+Na]+ 507.06384 212.2
[M-H]- 483.06734 210.4
[M+NH4]+ 502.10844 211.4
[M+K]+ 523.03778 200.2
[M+H-H2O]+ 467.07188 200.0
[M+HCOO]- 529.07282 213.6
[M+CH3COO]- 543.08847 212.3
[M+Na-2H]- 505.04929 202.2
[M]+ 484.07407 221.6
[M]- 484.07517 221.6
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.