CID 14135319

Chembl469922

Structural Information

Molecular Formula
C18H29NO2
SMILES
CC/C=C\C/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O
InChI
InChI=1S/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h5-6,8-9,12-15,21H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5-,9-8-,13-12+,15-14+
InChIKey
HSFPMLIZJAVYHM-GTDPEVRFSA-N
Compound name
(2E,4E,8Z,11Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

84
Patents

291.21982 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 177.6
[M+Na]+ 314.20904 180.6
[M-H]- 290.21254 174.9
[M+NH4]+ 309.25364 192.4
[M+K]+ 330.18298 175.1
[M+H-H2O]+ 274.21708 171.7
[M+HCOO]- 336.21802 196.0
[M+CH3COO]- 350.23367 202.9
[M+Na-2H]- 312.19449 177.7
[M]+ 291.21927 178.5
[M]- 291.22037 178.5
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

patents stripe