CID 455381

Chembl269276

Structural Information

Molecular Formula
C20H23N5O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC=C4
InChI
InChI=1S/C20H23N5O/c1-2-21-18-4-3-8-23-19(18)24-10-12-25(13-11-24)20(26)16-5-6-17-15(14-16)7-9-22-17/h3-9,14,21-22H,2,10-13H2,1H3
InChIKey
ZQXLKRUQTMLABP-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]-(1H-indol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.19025 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19753 183.8
[M+Na]+ 372.17947 189.6
[M-H]- 348.18297 187.5
[M+NH4]+ 367.22407 192.5
[M+K]+ 388.15341 182.2
[M+H-H2O]+ 332.18751 172.0
[M+HCOO]- 394.18845 198.6
[M+CH3COO]- 408.20410 191.6
[M+Na-2H]- 370.16492 186.2
[M]+ 349.18970 179.7
[M]- 349.19080 179.7
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

No patent data available for this compound.