PubChemLite - 121346-32-5 (C32H40N2O5S)

Structural Information

Molecular Formula

SMILES

CC(C)C1=C(N(C2=CC=CC=C21)C)S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H40N2O5S/c1-23(2)31-27-10-7-8-11-28(27)34(4)32(31)40(35,36)26-15-13-25(14-16-26)39-21-9-19-33(3)20-18-24-12-17-29(37-5)30(22-24)38-6/h7-8,10-17,22-23H,9,18-21H2,1-6H3

InChIKey

GCVFQRRBTCHIPK-UHFFFAOYSA-N

Compound name

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-3-propan-2-ylindol-2-yl)sulfonylphenoxy]propan-1-amine

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]+	565.27308	239.9
[M+Na]+	587.25502	252.8
[M+NH4]+	582.29962	244.9
[M+K]+	603.22896	245.0
[M-H]-	563.25852	245.2
[M+Na-2H]-	585.24047	246.6
[M]+	564.26525	243.9
[M]-	564.26635	243.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

565.27308

239.9

[M+Na]+

587.25502

252.8

[M+NH4]+

582.29962

244.9

[M+K]+

603.22896

245.0

[M-H]-

563.25852

245.2

[M+Na-2H]-

585.24047

246.6

[M]+

564.26525

243.9

[M]-

564.26635

243.9

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

121346-32-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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