CID 468309

Chembl356173

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CCOC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C20H22N4O2/c1-2-26-18-8-5-9-21-19(18)23-10-12-24(13-11-23)20(25)17-14-15-6-3-4-7-16(15)22-17/h3-9,14,22H,2,10-13H2,1H3
InChIKey
NWMIXFOVOGAALM-UHFFFAOYSA-N
Compound name
[4-(3-ethoxypyridin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1743 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 184.6
[M+Na]+ 373.16352 191.0
[M-H]- 349.16702 188.2
[M+NH4]+ 368.20812 193.4
[M+K]+ 389.13746 184.2
[M+H-H2O]+ 333.17156 172.7
[M+HCOO]- 395.17250 198.3
[M+CH3COO]- 409.18815 192.6
[M+Na-2H]- 371.14897 186.0
[M]+ 350.17375 182.3
[M]- 350.17485 182.3
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

No patent data available for this compound.