PubChemLite - Bms-210285 (C24H25ClF2N2O5S)

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)[C@H](CN[C@H](CC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC(F)F)O)O

InChI

InChI=1S/C24H25ClF2N2O5S/c1-35(32,33)29-21-13-17(7-10-22(21)30)23(31)14-28-20(12-15-3-2-4-18(25)11-15)16-5-8-19(9-6-16)34-24(26)27/h2-11,13,20,23-24,28-31H,12,14H2,1H3/t20-,23+/m1/s1

InChIKey

DSEGFUSAJVUFLK-OFNKIYASSA-N

Compound name

N-[5-[(1R)-2-[[(1R)-2-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide

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]+	527.12138	214.7
[M+Na]+	549.10332	222.9
[M+NH4]+	544.14792	217.6
[M+K]+	565.07726	216.7
[M-H]-	525.10682	215.5
[M+Na-2H]-	547.08877	219.9
[M]+	526.11355	216.3
[M]-	526.11465	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

527.12138

214.7

[M+Na]+

549.10332

222.9

[M+NH4]+

544.14792

217.6

[M+K]+

565.07726

216.7

[M-H]-

525.10682

215.5

[M+Na-2H]-

547.08877

219.9

[M]+

526.11355

216.3

[M]-

526.11465

216.3

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

Bms-210285

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe