PubChemLite - Benzenesulfonamide, n,n'-1,2-ethanediylbis[n-[1-(hydroxymethyl)propyl]-4-methyl-, d- (C24H36N2O6S2)

Structural Information

Molecular Formula

SMILES

CCC(CO)N(CCN(C(CC)CO)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C24H36N2O6S2/c1-5-21(17-27)25(33(29,30)23-11-7-19(3)8-12-23)15-16-26(22(6-2)18-28)34(31,32)24-13-9-20(4)10-14-24/h7-14,21-22,27-28H,5-6,15-18H2,1-4H3

InChIKey

YAXSEGYUGOGVTP-UHFFFAOYSA-N

Compound name

N-(1-hydroxybutan-2-yl)-N-[2-[1-hydroxybutan-2-yl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide

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]+	513.20878	218.6
[M+Na]+	535.19072	218.8
[M-H]-	511.19422	222.5
[M+NH4]+	530.23532	223.7
[M+K]+	551.16466	215.3
[M+H-H2O]+	495.19876	209.4
[M+HCOO]-	557.19970	225.2
[M+CH3COO]-	571.21535	244.9
[M+Na-2H]-	533.17617	218.1
[M]+	512.20095	225.1
[M]-	512.20205	225.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.20878

218.6

[M+Na]+

535.19072

218.8

[M-H]-

511.19422

222.5

[M+NH4]+

530.23532

223.7

[M+K]+

551.16466

215.3

[M+H-H2O]+

495.19876

209.4

[M+HCOO]-

557.19970

225.2

[M+CH3COO]-

571.21535

244.9

[M+Na-2H]-

533.17617

218.1

[M]+

512.20095

225.1

[M]-

512.20205

225.1

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

Benzenesulfonamide, n,n'-1,2-ethanediylbis[n-[1-(hydroxymethyl)propyl]-4-methyl-, d-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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