PubChemLite - 736183-35-0 (C26H24N2O6S)

Structural Information

Molecular Formula

SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(O2)C)COC3=CC=C(C=C3)C4=NC=C(C=C4)OC

InChI

InChI=1S/C26H24N2O6S/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23/h4-15H,16H2,1-3H3,(H,28,29)

InChIKey

IXDVRRPNWPOPGV-UHFFFAOYSA-N

Compound name

4-[[4-(5-methoxypyridin-2-yl)phenoxy]methyl]-5-methyl-N-(2-methylphenyl)sulfonylfuran-2-carboxamide

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]+	493.14278	216.2
[M+Na]+	515.12472	229.9
[M+NH4]+	510.16932	221.0
[M+K]+	531.09866	223.9
[M-H]-	491.12822	223.4
[M+Na-2H]-	513.11017	225.0
[M]+	492.13495	220.7
[M]-	492.13605	220.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.14278

216.2

[M+Na]+

515.12472

229.9

[M+NH4]+

510.16932

221.0

[M+K]+

531.09866

223.9

[M-H]-

491.12822

223.4

[M+Na-2H]-

513.11017

225.0

[M]+

492.13495

220.7

[M]-

492.13605

220.7

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

736183-35-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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