CID 5318940

Lanyuamide ii

Structural Information

Molecular Formula

C₁₈H₂₉NO₂

SMILES

CCC(=O)CC/C=C\CC/C=C/C=C/C(=O)NCC(C)C

InChI

InChI=1S/C18H29NO2/c1-4-17(20)13-11-9-7-5-6-8-10-12-14-18(21)19-15-16(2)3/h7-10,12,14,16H,4-6,11,13,15H2,1-3H3,(H,19,21)/b9-7-,10-8+,14-12+

InChIKey

FUSIHPXPVQSRQH-RLMPMMINSA-N

Compound name

(2E,4E,8Z)-N-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 291.21982 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.227096	178.2
[M+Na]+	314.209038	180.6
[M-H]-	290.212544	176.7
[M+NH4]+	309.253643	193.4
[M+K]+	330.182978	176.6
[M+H-H2O]+	274.217080	171.6
[M+HCOO]-	336.218021	197.6
[M+CH3COO]-	350.233671	207.5
[M+Na-2H]-	312.194486	175.4
[M]+	291.21927142	180.3
[M]-	291.22036858	180.3

Literature stripe

literature stripe

Patent stripe

patents stripe