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

1
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

patents stripe