CID 489420

1-[5-methoxyindolyl-2-carbonyl]-4-[2-ethoxyphenyl]piperazine

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)OC
InChI
InChI=1S/C22H25N3O3/c1-3-28-21-7-5-4-6-20(21)24-10-12-25(13-11-24)22(26)19-15-16-14-17(27-2)8-9-18(16)23-19/h4-9,14-15,23H,3,10-13H2,1-2H3
InChIKey
CFZHWLLIVBYXAQ-UHFFFAOYSA-N
Compound name
[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

379.1896 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 192.3
[M+Na]+ 402.17882 198.5
[M-H]- 378.18232 197.4
[M+NH4]+ 397.22342 201.6
[M+K]+ 418.15276 192.4
[M+H-H2O]+ 362.18686 181.1
[M+HCOO]- 424.18780 206.9
[M+CH3COO]- 438.20345 200.5
[M+Na-2H]- 400.16427 192.1
[M]+ 379.18905 192.0
[M]- 379.19015 192.0
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