CID 453217

136816-72-3

Structural Information

Molecular Formula
C20H23N5O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C20H23N5O/c1-2-21-17-8-5-9-22-19(17)24-10-12-25(13-11-24)20(26)18-14-15-6-3-4-7-16(15)23-18/h3-9,14,21,23H,2,10-13H2,1H3
InChIKey
OPOVDOVPCBBDRF-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

349.19025 Da
Monoisotopic Mass

3.0
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

patents stripe