CID 169492350

Hancockiamide g

Structural Information

Molecular Formula
C29H30N2O4
SMILES
COC1=CC(=CC2=C1OCO2)C[C@H]3CN[C@H](CN3C(=O)/C=C/C4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C29H30N2O4/c1-33-26-16-23(17-27-29(26)35-20-34-27)15-25-18-30-24(14-22-10-6-3-7-11-22)19-31(25)28(32)13-12-21-8-4-2-5-9-21/h2-13,16-17,24-25,30H,14-15,18-20H2,1H3/b13-12+/t24-,25-/m0/s1
InChIKey
YUCPAFATLXEDRX-YPBJQLICSA-N
Compound name
(E)-1-[(2S,5S)-5-benzyl-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.22055 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.22783 218.0
[M+Na]+ 493.20977 232.0
[M+NH4]+ 488.25437 223.9
[M+K]+ 509.18371 225.5
[M-H]- 469.21327 226.7
[M+Na-2H]- 491.19522 223.7
[M]+ 470.22000 222.4
[M]- 470.22110 222.4
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.