CID 172429324

Campesine b

Structural Information

Molecular Formula
C17H25N3
SMILES
CC(C)[C@H]1CN[C@H](CN1C)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H25N3/c1-12(2)17-10-18-14(11-20(17)3)8-13-9-19-16-7-5-4-6-15(13)16/h4-7,9,12,14,17-19H,8,10-11H2,1-3H3/t14-,17+/m0/s1
InChIKey
OCCKAKOLIXUXRM-WMLDXEAASA-N
Compound name
3-[[(2S,5S)-4-methyl-5-propan-2-ylpiperazin-2-yl]methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.20483 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.21211 168.3
[M+Na]+ 294.19405 174.6
[M-H]- 270.19755 168.8
[M+NH4]+ 289.23865 182.2
[M+K]+ 310.16799 168.0
[M+H-H2O]+ 254.20209 159.4
[M+HCOO]- 316.20303 181.4
[M+CH3COO]- 330.21868 177.3
[M+Na-2H]- 292.17950 168.6
[M]+ 271.20428 163.6
[M]- 271.20538 163.6
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.