CID 127049818

Thalassotalamide b

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CC(C)CCCCCCC(=O)N/C(=C\C1=CC=C(C=C1)O)/C(=O)N
InChI
InChI=1S/C19H28N2O3/c1-14(2)7-5-3-4-6-8-18(23)21-17(19(20)24)13-15-9-11-16(22)12-10-15/h9-14,22H,3-8H2,1-2H3,(H2,20,24)(H,21,23)/b17-13-
InChIKey
UTRSSLHZNOOERQ-LGMDPLHJSA-N
Compound name
N-[(Z)-3-amino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-8-methylnonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.21 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 185.6
[M+Na]+ 355.19922 187.2
[M-H]- 331.20272 185.9
[M+NH4]+ 350.24382 197.4
[M+K]+ 371.17316 183.7
[M+H-H2O]+ 315.20726 177.7
[M+HCOO]- 377.20820 203.9
[M+CH3COO]- 391.22385 215.4
[M+Na-2H]- 353.18467 181.8
[M]+ 332.20945 184.5
[M]- 332.21055 184.5
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.