CID 127050170

Thalassotalic acid a

Structural Information

Molecular Formula
C19H27NO4
SMILES
CCCCCCCCCC(=O)N/C(=C\C1=CC=C(C=C1)O)/C(=O)O
InChI
InChI=1S/C19H27NO4/c1-2-3-4-5-6-7-8-9-18(22)20-17(19(23)24)14-15-10-12-16(21)13-11-15/h10-14,21H,2-9H2,1H3,(H,20,22)(H,23,24)/b17-14-
InChIKey
LCWMLAAWWWWZBR-VKAVYKQESA-N
Compound name
(Z)-2-(decanoylamino)-3-(4-hydroxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

333.194 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20128 183.9
[M+Na]+ 356.18322 186.0
[M-H]- 332.18672 183.2
[M+NH4]+ 351.22782 195.6
[M+K]+ 372.15716 182.0
[M+H-H2O]+ 316.19126 176.3
[M+HCOO]- 378.19220 201.5
[M+CH3COO]- 392.20785 209.5
[M+Na-2H]- 354.16867 181.7
[M]+ 333.19345 184.7
[M]- 333.19455 184.7
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.