CID 169492347

Hancockiamide d

Structural Information

Molecular Formula
C20H26N2O3
SMILES
COC1=CC(=CC(=C1O)OC)C[C@H]2CN[C@H](CN2)CC3=CC=CC=C3
InChI
InChI=1S/C20H26N2O3/c1-24-18-10-15(11-19(25-2)20(18)23)9-17-13-21-16(12-22-17)8-14-6-4-3-5-7-14/h3-7,10-11,16-17,21-23H,8-9,12-13H2,1-2H3/t16-,17-/m0/s1
InChIKey
XSGLOXNZKHLMNE-IRXDYDNUSA-N
Compound name
4-[[(2S,5S)-5-benzylpiperazin-2-yl]methyl]-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 184.6
[M+Na]+ 365.18356 188.8
[M-H]- 341.18706 186.7
[M+NH4]+ 360.22816 192.8
[M+K]+ 381.15750 182.3
[M+H-H2O]+ 325.19160 174.3
[M+HCOO]- 387.19254 197.2
[M+CH3COO]- 401.20819 206.0
[M+Na-2H]- 363.16901 184.8
[M]+ 342.19379 180.1
[M]- 342.19489 180.1
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.