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]+ 341.18596 183.5
[M+Na]+ 363.16790 196.4
[M+NH4]+ 358.21250 190.7
[M+K]+ 379.14184 191.3
[M-H]- 339.17140 190.3
[M+Na-2H]- 361.15335 188.2
[M]+ 340.17813 187.2
[M]- 340.17923 187.2
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.