PubChemLite - Rizedisben (C29H33N3O4S)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCO)/C=C/C4=CC=C(C=C4)N

InChI

InChI=1S/C29H33N3O4S/c1-36-29-22-25(5-11-26(29)10-4-24-6-12-27(30)13-7-24)3-2-23-8-14-28(15-9-23)37(34,35)32-18-16-31(17-19-32)20-21-33/h2-15,22,33H,16-21,30H2,1H3/b3-2+,10-4+

InChIKey

UQCMMQGPTBKIAK-KHVHPYDTSA-N

Compound name

2-[4-[4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-3-methoxyphenyl]ethenyl]phenyl]sulfonylpiperazin-1-yl]ethanol

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]+	520.22648	227.7
[M+Na]+	542.20842	231.1
[M-H]-	518.21192	234.3
[M+NH4]+	537.25302	229.3
[M+K]+	558.18236	222.2
[M+H-H2O]+	502.21646	215.5
[M+HCOO]-	564.21740	236.4
[M+CH3COO]-	578.23305	241.5
[M+Na-2H]-	540.19387	225.4
[M]+	519.21865	225.9
[M]-	519.21975	225.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.22648

227.7

[M+Na]+

542.20842

231.1

[M-H]-

518.21192

234.3

[M+NH4]+

537.25302

229.3

[M+K]+

558.18236

222.2

[M+H-H2O]+

502.21646

215.5

[M+HCOO]-

564.21740

236.4

[M+CH3COO]-

578.23305

241.5

[M+Na-2H]-

540.19387

225.4

[M]+

519.21865

225.9

[M]-

519.21975

225.9

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

Rizedisben

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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