CID 172429326

Campesine c

Structural Information

Molecular Formula
C18H25N3O
SMILES
CC(C)[C@H]1CN[C@H](CN1C(=O)C)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H25N3O/c1-12(2)18-10-19-15(11-21(18)13(3)22)8-14-9-20-17-7-5-4-6-16(14)17/h4-7,9,12,15,18-20H,8,10-11H2,1-3H3/t15-,18+/m0/s1
InChIKey
JVZUCUIAAXEGRI-MAUKXSAKSA-N
Compound name
1-[(2S,5S)-5-(1H-indol-3-ylmethyl)-2-propan-2-ylpiperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.207046 175.1
[M+Na]+ 322.188988 180.8
[M-H]- 298.192494 175.6
[M+NH4]+ 317.233593 187.6
[M+K]+ 338.162928 174.6
[M+H-H2O]+ 282.197030 166.1
[M+HCOO]- 344.197971 187.2
[M+CH3COO]- 358.213621 183.5
[M+Na-2H]- 320.174436 173.8
[M]+ 299.19922142 170.7
[M]- 299.20031858 170.7
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.