CID 127050172

Thalassotalamide a

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CCCCCCCCCC(=O)N/C(=C\C1=CC=C(C=C1)O)/C(=O)N
InChI
InChI=1S/C19H28N2O3/c1-2-3-4-5-6-7-8-9-18(23)21-17(19(20)24)14-15-10-12-16(22)13-11-15/h10-14,22H,2-9H2,1H3,(H2,20,24)(H,21,23)/b17-14-
InChIKey
MRBDSURQNNFNPJ-VKAVYKQESA-N
Compound name
N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.21 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 185.1
[M+Na]+ 355.19922 186.9
[M-H]- 331.20272 185.3
[M+NH4]+ 350.24382 196.9
[M+K]+ 371.17316 182.8
[M+H-H2O]+ 315.20726 177.0
[M+HCOO]- 377.20820 204.4
[M+CH3COO]- 391.22385 214.5
[M+Na-2H]- 353.18467 182.5
[M]+ 332.20945 184.6
[M]- 332.21055 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.