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]+ 441.132396 201.5
[M+Na]+ 463.114338 208.9
[M-H]- 439.117844 205.9
[M+NH4]+ 458.158943 207.7
[M+K]+ 479.088278 202.3
[M+H-H2O]+ 423.122380 190.6
[M+HCOO]- 485.123321 208.7
[M+CH3COO]- 499.138971 208.7
[M+Na-2H]- 461.099786 198.5
[M]+ 440.12457142 203.4
[M]- 440.12566858 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.