CID 489439

1-(5-methoxyindolyl-2-carbonyl)-4-[3-(methylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C20H23N5O2
SMILES
CNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)OC
InChI
InChI=1S/C20H23N5O2/c1-21-17-4-3-7-22-19(17)24-8-10-25(11-9-24)20(26)18-13-14-12-15(27-2)5-6-16(14)23-18/h3-7,12-13,21,23H,8-11H2,1-2H3
InChIKey
VWSYLLGXMYYUCC-UHFFFAOYSA-N
Compound name
(5-methoxy-1H-indol-2-yl)-[4-[3-(methylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.18518 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19246 187.6
[M+Na]+ 388.17440 194.1
[M-H]- 364.17790 191.7
[M+NH4]+ 383.21900 195.9
[M+K]+ 404.14834 187.4
[M+H-H2O]+ 348.18244 175.9
[M+HCOO]- 410.18338 202.5
[M+CH3COO]- 424.19903 195.6
[M+Na-2H]- 386.15985 189.3
[M]+ 365.18463 185.3
[M]- 365.18573 185.3
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.