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

8
Patents

305.1892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19648 173.4
[M+Na]+ 328.17842 179.0
[M-H]- 304.18192 176.4
[M+NH4]+ 323.22302 184.9
[M+K]+ 344.15236 170.3
[M+H-H2O]+ 288.18646 162.6
[M+HCOO]- 350.18740 187.7
[M+CH3COO]- 364.20305 181.7
[M+Na-2H]- 326.16387 176.3
[M]+ 305.18865 167.2
[M]- 305.18975 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