CID 379576

Nsc664265

Structural Information

Molecular Formula
C21H28F3NO5
SMILES
COC1=C(C=CC(=C1)CN(C(=O)C(F)(F)F)OC(=O)CCCCCCCCC=C)O
InChI
InChI=1S/C21H28F3NO5/c1-3-4-5-6-7-8-9-10-11-19(27)30-25(20(28)21(22,23)24)15-16-12-13-17(26)18(14-16)29-2/h3,12-14,26H,1,4-11,15H2,2H3
InChIKey
GUWJDYGTQODFBK-UHFFFAOYSA-N
Compound name
[(4-hydroxy-3-methoxyphenyl)methyl-(2,2,2-trifluoroacetyl)amino] undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.19196 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.19924 202.5
[M+Na]+ 454.18118 206.1
[M-H]- 430.18468 200.8
[M+NH4]+ 449.22578 211.8
[M+K]+ 470.15512 203.3
[M+H-H2O]+ 414.18922 191.9
[M+HCOO]- 476.19016 217.9
[M+CH3COO]- 490.20581 230.5
[M+Na-2H]- 452.16663 199.1
[M]+ 431.19141 205.5
[M]- 431.19251 205.5
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.