CID 506404

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

Structural Information

Molecular Formula
C23H24N4O3
SMILES
CCC1=C2C(=CC=C1)C(=CN2)C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)C4=CC=CC=N4
InChI
InChI=1S/C23H24N4O3/c1-3-16-7-6-8-17-18(13-25-20(16)17)21(28)23(30)27-12-11-26(14-15(27)2)22(29)19-9-4-5-10-24-19/h4-10,13,15,25H,3,11-12,14H2,1-2H3/t15-/m1/s1
InChIKey
MVXFUGMURFYGST-OAHLLOKOSA-N
Compound name
1-(7-ethyl-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

404.18484 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19212 198.5
[M+Na]+ 427.17406 204.1
[M-H]- 403.17756 202.4
[M+NH4]+ 422.21866 205.0
[M+K]+ 443.14800 197.6
[M+H-H2O]+ 387.18210 187.1
[M+HCOO]- 449.18304 209.8
[M+CH3COO]- 463.19869 205.4
[M+Na-2H]- 425.15951 195.8
[M]+ 404.18429 196.5
[M]- 404.18539 196.5
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.