PubChemLite - Nada (C28H41NO3)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-

InChIKey

MVVPIAAVGAWJNQ-DOFZRALJSA-N

Compound name

(5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide

Related CIDs

2D Structure

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]+	440.31593	218.6
[M+Na]+	462.29787	225.5
[M+NH4]+	457.34247	221.1
[M+K]+	478.27181	216.2
[M-H]-	438.30137	217.4
[M+Na-2H]-	460.28332	218.1
[M]+	439.30810	218.6
[M]-	439.30920	218.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.31593

218.6

[M+Na]+

462.29787

225.5

[M+NH4]+

457.34247

221.1

[M+K]+

478.27181

216.2

[M-H]-

438.30137

217.4

[M+Na-2H]-

460.28332

218.1

[M]+

439.30810

218.6

[M]-

439.30920

218.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Nada

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe