CID 455444

1h-indol-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Structural Information

Molecular Formula
C20H21N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C20H21N3O2/c1-25-19-9-5-4-8-18(19)22-10-12-23(13-11-22)20(24)17-14-15-6-2-3-7-16(15)21-17/h2-9,14,21H,10-13H2,1H3
InChIKey
ITTKFKXXMYOWRK-UHFFFAOYSA-N
Compound name
1H-indol-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 180.2
[M+Na]+ 358.15262 186.7
[M-H]- 334.15612 185.2
[M+NH4]+ 353.19722 191.1
[M+K]+ 374.12656 180.2
[M+H-H2O]+ 318.16066 169.2
[M+HCOO]- 380.16160 195.4
[M+CH3COO]- 394.17725 189.1
[M+Na-2H]- 356.13807 181.6
[M]+ 335.16285 177.5
[M]- 335.16395 177.5
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.