CID 199532

4366-55-6

Structural Information

Molecular Formula
C20H23N3
SMILES
C1CN(CCN1CCC2=CNC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C20H23N3/c1-2-6-18(7-3-1)23-14-12-22(13-15-23)11-10-17-16-21-20-9-5-4-8-19(17)20/h1-9,16,21H,10-15H2
InChIKey
IPWVMIXDMGMNDF-UHFFFAOYSA-N
Compound name
3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1892 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19648 173.8
[M+Na]+ 328.17842 179.7
[M-H]- 304.18192 178.1
[M+NH4]+ 323.22302 185.9
[M+K]+ 344.15236 171.9
[M+H-H2O]+ 288.18646 162.5
[M+HCOO]- 350.18740 189.5
[M+CH3COO]- 364.20305 182.7
[M+Na-2H]- 326.16387 176.9
[M]+ 305.18865 169.2
[M]- 305.18975 169.2
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