CID 169492351

Hancockiamide h

Structural Information

Molecular Formula
C20H24N2O3
SMILES
COC1=CC(=CC2=C1OCO2)C[C@H]3CN[C@H](CN3)CC4=CC=CC=C4
InChI
InChI=1S/C20H24N2O3/c1-23-18-9-15(10-19-20(18)25-13-24-19)8-17-12-21-16(11-22-17)7-14-5-3-2-4-6-14/h2-6,9-10,16-17,21-22H,7-8,11-13H2,1H3/t16-,17-/m0/s1
InChIKey
RWGZXMUUNVSQHD-IRXDYDNUSA-N
Compound name
(2S,5S)-2-benzyl-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.185956 181.4
[M+Na]+ 363.167898 185.8
[M-H]- 339.171404 186.8
[M+NH4]+ 358.212503 190.1
[M+K]+ 379.141838 181.8
[M+H-H2O]+ 323.175940 171.7
[M+HCOO]- 385.176881 192.8
[M+CH3COO]- 399.192531 189.5
[M+Na-2H]- 361.153346 182.6
[M]+ 340.17813142 177.7
[M]- 340.17922858 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.