PubChemLite - 187947-37-1 (C30H42N2O2)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O

InChI

InChI=1S/C30H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29/h6-7,9-10,12-13,15-16,20-21,24-25,32-33H,2-5,8,11,14,17-19,22-23H2,1H3,(H,31,34)/b7-6-,10-9-,13-12-,16-15-

InChIKey

QJDNHGXNNRLIGA-DOFZRALJSA-N

Compound name

(5Z,8Z,11Z,14Z)-N-[2-(5-hydroxy-1H-indol-3-yl)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]+	463.33190	224.2
[M+Na]+	485.31384	226.0
[M-H]-	461.31734	222.1
[M+NH4]+	480.35844	232.6
[M+K]+	501.28778	215.2
[M+H-H2O]+	445.32188	214.7
[M+HCOO]-	507.32282	240.7
[M+CH3COO]-	521.33847	233.8
[M+Na-2H]-	483.29929	219.9
[M]+	462.32407	227.4
[M]-	462.32517	227.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.33190

224.2

[M+Na]+

485.31384

226.0

[M-H]-

461.31734

222.1

[M+NH4]+

480.35844

232.6

[M+K]+

501.28778

215.2

[M+H-H2O]+

445.32188

214.7

[M+HCOO]-

507.32282

240.7

[M+CH3COO]-

521.33847

233.8

[M+Na-2H]-

483.29929

219.9

[M]+

462.32407

227.4

[M]-

462.32517

227.4

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

187947-37-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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