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)-2-pyridinyl]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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.