CID 506409

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

Structural Information

Molecular Formula
C22H21FN4O4
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)OC)C(=O)C4=CC=CC=N4
InChI
InChI=1S/C22H21FN4O4/c1-13-12-26(21(29)16-5-3-4-8-24-16)9-10-27(13)22(30)20(28)14-11-25-19-17(31-2)7-6-15(23)18(14)19/h3-8,11,13,25H,9-10,12H2,1-2H3/t13-/m1/s1
InChIKey
SADJSEWIHAIUFG-CYBMUJFWSA-N
Compound name
1-(4-fluoro-7-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

424.1547 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.16198 199.9
[M+Na]+ 447.14392 206.7
[M-H]- 423.14742 203.1
[M+NH4]+ 442.18852 205.7
[M+K]+ 463.11786 200.7
[M+H-H2O]+ 407.15196 187.9
[M+HCOO]- 469.15290 210.6
[M+CH3COO]- 483.16855 224.9
[M+Na-2H]- 445.12937 196.6
[M]+ 424.15415 198.5
[M]- 424.15525 198.5
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.