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]+ 258.19648 163.5
[M+Na]+ 280.17842 168.9
[M-H]- 256.18192 162.4
[M+NH4]+ 275.22302 176.9
[M+K]+ 296.15236 161.7
[M+H-H2O]+ 240.18646 154.8
[M+HCOO]- 302.18740 175.4
[M+CH3COO]- 316.20305 171.9
[M+Na-2H]- 278.16387 164.7
[M]+ 257.18865 156.2
[M]- 257.18975 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.