CID 24847457

N-vanillyl omega-bromoundecanamide

Structural Information

Molecular Formula
C19H30BrNO3
SMILES
CC(CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC)Br
InChI
InChI=1S/C19H30BrNO3/c1-15(20)9-7-5-3-4-6-8-10-19(23)21-14-16-11-12-17(22)18(13-16)24-2/h11-13,15,22H,3-10,14H2,1-2H3,(H,21,23)
InChIKey
LOGKDMATGIWWET-UHFFFAOYSA-N
Compound name
10-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]undecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1409 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14818 192.5
[M+Na]+ 422.13012 198.5
[M-H]- 398.13362 195.7
[M+NH4]+ 417.17472 206.5
[M+K]+ 438.10406 185.9
[M+H-H2O]+ 382.13816 189.7
[M+HCOO]- 444.13910 209.3
[M+CH3COO]- 458.15475 220.1
[M+Na-2H]- 420.11557 192.0
[M]+ 399.14035 214.2
[M]- 399.14145 214.2
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.