CID 17998952

169458-70-2

Structural Information

Molecular Formula
C20H23N3
SMILES
C1CN(C[C@@H](N1)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C20H23N3/c1-2-6-16(7-3-1)14-23-11-10-21-18(15-23)12-17-13-22-20-9-5-4-8-19(17)20/h1-9,13,18,21-22H,10-12,14-15H2/t18-/m0/s1
InChIKey
IDIXRJMDVPQZIV-SFHVURJKSA-N
Compound name
3-[[(2S)-4-benzylpiperazin-2-yl]methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

305.1892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.196476 173.4
[M+Na]+ 328.178418 179.0
[M-H]- 304.181924 176.4
[M+NH4]+ 323.223023 184.9
[M+K]+ 344.152358 170.3
[M+H-H2O]+ 288.186460 162.6
[M+HCOO]- 350.187401 187.7
[M+CH3COO]- 364.203051 181.7
[M+Na-2H]- 326.163866 176.3
[M]+ 305.18865142 167.2
[M]- 305.18974858 167.2
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

patents stripe