CID 5886580

11-bromo-n-vanillyl-10-undecenamide

Structural Information

Molecular Formula
C19H28BrNO3
SMILES
COC1=C(C=CC(=C1)CNC(=O)CCCCCCCC/C=C/Br)O
InChI
InChI=1S/C19H28BrNO3/c1-24-18-14-16(11-12-17(18)22)15-21-19(23)10-8-6-4-2-3-5-7-9-13-20/h9,11-14,22H,2-8,10,15H2,1H3,(H,21,23)/b13-9+
InChIKey
XMODDDKIFUQQLF-UKTHLTGXSA-N
Compound name
(E)-11-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.12527 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.13255 190.2
[M+Na]+ 420.11449 196.8
[M-H]- 396.11799 193.4
[M+NH4]+ 415.15909 204.3
[M+K]+ 436.08843 183.2
[M+H-H2O]+ 380.12253 187.4
[M+HCOO]- 442.12347 208.1
[M+CH3COO]- 456.13912 217.9
[M+Na-2H]- 418.09994 191.0
[M]+ 397.12472 211.8
[M]- 397.12582 211.8
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.