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 181.4
[M+Na]+ 363.16790 185.8
[M-H]- 339.17140 186.8
[M+NH4]+ 358.21250 190.1
[M+K]+ 379.14184 181.8
[M+H-H2O]+ 323.17594 171.7
[M+HCOO]- 385.17688 192.8
[M+CH3COO]- 399.19253 189.5
[M+Na-2H]- 361.15335 182.6
[M]+ 340.17813 177.7
[M]- 340.17923 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.