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]+ 434.32648 207.8
[M+Na]+ 456.30842 211.3
[M-H]- 432.31192 212.7
[M+NH4]+ 451.35302 211.4
[M+K]+ 472.28236 206.3
[M+H-H2O]+ 416.31646 198.6
[M+HCOO]- 478.31740 225.8
[M+CH3COO]- 492.33305 235.0
[M+Na-2H]- 454.29387 205.8
[M]+ 433.31865 218.5
[M]- 433.31975 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.