CID 3073615

Oxiraneoctanamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-3-octyl-, cis-(+-)-

Structural Information

Molecular Formula
C26H43NO4
SMILES
CCCCCCCC[C@H]1[C@H](O1)CCCCCCCC(=O)NCC2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C26H43NO4/c1-3-4-5-6-8-11-14-23-24(31-23)15-12-9-7-10-13-16-26(29)27-20-21-17-18-22(28)25(19-21)30-2/h17-19,23-24,28H,3-16,20H2,1-2H3,(H,27,29)/t23-,24+/m0/s1
InChIKey
AGOIHCNDEWXAGS-BJKOFHAPSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-[(2R,3S)-3-octyloxiran-2-yl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.3192 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.326476 207.8
[M+Na]+ 456.308418 211.3
[M-H]- 432.311924 212.7
[M+NH4]+ 451.353023 211.4
[M+K]+ 472.282358 206.3
[M+H-H2O]+ 416.316460 198.6
[M+HCOO]- 478.317401 225.8
[M+CH3COO]- 492.333051 235.0
[M+Na-2H]- 454.293866 205.8
[M]+ 433.31865142 218.5
[M]- 433.31974858 218.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.