PubChemLite - Arachidonoyl 2-oxoserotonin (C30H42N2O3)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC1C2=C(C=CC(=C2)O)NC1=O

InChI

InChI=1S/C30H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(34)31-23-22-26-27-24-25(33)20-21-28(27)32-30(26)35/h6-7,9-10,12-13,15-16,20-21,24,26,33H,2-5,8,11,14,17-19,22-23H2,1H3,(H,31,34)(H,32,35)/b7-6-,10-9-,13-12-,16-15-

InChIKey

NTJHTZJPDOWXMN-DOFZRALJSA-N

Compound name

(5Z,8Z,11Z,14Z)-N-[2-(5-hydroxy-2-oxo-1,3-dihydroindol-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]+	479.32683	226.8
[M+Na]+	501.30877	227.6
[M-H]-	477.31227	224.2
[M+NH4]+	496.35337	234.5
[M+K]+	517.28271	217.3
[M+H-H2O]+	461.31681	217.8
[M+HCOO]-	523.31775	240.8
[M+CH3COO]-	537.33340	237.2
[M+Na-2H]-	499.29422	220.3
[M]+	478.31900	228.3
[M]-	478.32010	228.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.32683

226.8

[M+Na]+

501.30877

227.6

[M-H]-

477.31227

224.2

[M+NH4]+

496.35337

234.5

[M+K]+

517.28271

217.3

[M+H-H2O]+

461.31681

217.8

[M+HCOO]-

523.31775

240.8

[M+CH3COO]-

537.33340

237.2

[M+Na-2H]-

499.29422

220.3

[M]+

478.31900

228.3

[M]-

478.32010

228.3

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

Arachidonoyl 2-oxoserotonin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe