CID 5318941

Lanyuamide iii

Structural Information

Molecular Formula
C18H29NO
SMILES
CC/C=C/C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C18H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h5-6,8-9,12-15,17H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5+,9-8-,13-12+,15-14+
InChIKey
YFRGJIVWBMOBIT-NPNWTSAVSA-N
Compound name
(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.23218 174.9
[M+Na]+ 298.21412 177.8
[M-H]- 274.21762 173.5
[M+NH4]+ 293.25872 191.0
[M+K]+ 314.18806 172.7
[M+H-H2O]+ 258.22216 168.5
[M+HCOO]- 320.22310 195.2
[M+CH3COO]- 334.23875 204.1
[M+Na-2H]- 296.19957 173.4
[M]+ 275.22435 176.2
[M]- 275.22545 176.2
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.