CID 172429322

Campesine a

Structural Information

Molecular Formula
C16H23N3
SMILES
CC(C)[C@H]1CN[C@H](CN1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H23N3/c1-11(2)16-10-17-13(9-19-16)7-12-8-18-15-6-4-3-5-14(12)15/h3-6,8,11,13,16-19H,7,9-10H2,1-2H3/t13-,16+/m0/s1
InChIKey
VEDFKAZIJVRNKO-XJKSGUPXSA-N
Compound name
3-[[(2S,5S)-5-propan-2-ylpiperazin-2-yl]methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.196476 163.5
[M+Na]+ 280.178418 168.9
[M-H]- 256.181924 162.4
[M+NH4]+ 275.223023 176.9
[M+K]+ 296.152358 161.7
[M+H-H2O]+ 240.186460 154.8
[M+HCOO]- 302.187401 175.4
[M+CH3COO]- 316.203051 171.9
[M+Na-2H]- 278.163866 164.7
[M]+ 257.18865142 156.2
[M]- 257.18974858 156.2
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

No patent data available for this compound.