CID 454723

136816-96-1

Structural Information

Molecular Formula
C20H23N5O2
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)O
InChI
InChI=1S/C20H23N5O2/c1-2-21-17-4-3-7-22-19(17)24-8-10-25(11-9-24)20(27)18-13-14-12-15(26)5-6-16(14)23-18/h3-7,12-13,21,23,26H,2,8-11H2,1H3
InChIKey
XUPVEUROLPQTGK-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]-(5-hydroxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

201
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 187.3
[M+Na]+ 388.17440 193.3
[M-H]- 364.17790 190.2
[M+NH4]+ 383.21900 194.9
[M+K]+ 404.14834 186.0
[M+H-H2O]+ 348.18244 176.1
[M+HCOO]- 410.18338 200.7
[M+CH3COO]- 424.19903 194.7
[M+Na-2H]- 386.15985 188.7
[M]+ 365.18463 183.3
[M]- 365.18573 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe