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]+ 300.20705 175.1
[M+Na]+ 322.18899 180.8
[M-H]- 298.19249 175.6
[M+NH4]+ 317.23359 187.6
[M+K]+ 338.16293 174.6
[M+H-H2O]+ 282.19703 166.1
[M+HCOO]- 344.19797 187.2
[M+CH3COO]- 358.21362 183.5
[M+Na-2H]- 320.17444 173.8
[M]+ 299.19922 170.7
[M]- 299.20032 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.