PubChemLite - Smenamide e (C26H43ClN2O5)

Structural Information

Molecular Formula

SMILES

CCC(=O)N(C)CCC/C(=C\Cl)/CCC(C)C(C(C)C(=O)N1C(C(=CC1=O)OC)CC(C)C)O

InChI

InChI=1S/C26H43ClN2O5/c1-8-23(30)28(6)13-9-10-20(16-27)12-11-18(4)25(32)19(5)26(33)29-21(14-17(2)3)22(34-7)15-24(29)31/h15-19,21,25,32H,8-14H2,1-7H3/b20-16+

InChIKey

IURWMKSBPILHRN-CAPFRKAQSA-N

Compound name

N-[(4Z)-4-(chloromethylidene)-8-hydroxy-10-[3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-7,9-dimethyl-10-oxodecyl]-N-methylpropanamide

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]+	499.29332	224.1
[M+Na]+	521.27526	224.9
[M-H]-	497.27876	224.9
[M+NH4]+	516.31986	238.1
[M+K]+	537.24920	222.3
[M+H-H2O]+	481.28330	217.8
[M+HCOO]-	543.28424	224.2
[M+CH3COO]-	557.29989	248.2
[M+Na-2H]-	519.26071	210.4
[M]+	498.28549	232.0
[M]-	498.28659	232.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.29332

224.1

[M+Na]+

521.27526

224.9

[M-H]-

497.27876

224.9

[M+NH4]+

516.31986

238.1

[M+K]+

537.24920

222.3

[M+H-H2O]+

481.28330

217.8

[M+HCOO]-

543.28424

224.2

[M+CH3COO]-

557.29989

248.2

[M+Na-2H]-

519.26071

210.4

[M]+

498.28549

232.0

[M]-

498.28659

232.0

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

Smenamide e

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe