CID 506405

1-(7-chloro-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
C22H21ClN4O4
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)OC)Cl)C(=O)C4=CC=CC=N4
InChI
InChI=1S/C22H21ClN4O4/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
LHCCGVJKTOGFHA-CYBMUJFWSA-N
Compound name
1-(7-chloro-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

440.12512 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.13240 201.5
[M+Na]+ 463.11434 208.9
[M-H]- 439.11784 205.9
[M+NH4]+ 458.15894 207.7
[M+K]+ 479.08828 202.3
[M+H-H2O]+ 423.12238 190.6
[M+HCOO]- 485.12332 208.7
[M+CH3COO]- 499.13897 208.7
[M+Na-2H]- 461.09979 198.5
[M]+ 440.12457 203.4
[M]- 440.12567 203.4
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.