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]+ 343.201616 184.6
[M+Na]+ 365.183558 188.8
[M-H]- 341.187064 186.7
[M+NH4]+ 360.228163 192.8
[M+K]+ 381.157498 182.3
[M+H-H2O]+ 325.191600 174.3
[M+HCOO]- 387.192541 197.2
[M+CH3COO]- 401.208191 206.0
[M+Na-2H]- 363.169006 184.8
[M]+ 342.19379142 180.1
[M]- 342.19488858 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.