Rac trans-2-hydroxy glyburide (C23H28ClN3O6S)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)N[C@H]3CCCC[C@@H]3O

InChI

InChI=1S/C23H28ClN3O6S/c1-33-21-11-8-16(24)14-18(21)22(29)25-13-12-15-6-9-17(10-7-15)34(31,32)27-23(30)26-19-4-2-3-5-20(19)28/h6-11,14,19-20,28H,2-5,12-13H2,1H3,(H,25,29)(H2,26,27,30)/t19-,20-/m0/s1

InChIKey

PASKIAZVROHUGZ-PMACEKPBSA-N

Compound name

5-chloro-N-[2-[4-[[(1S,2S)-2-hydroxycyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide

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]+	510.146006	213.5
[M+Na]+	532.127948	215.0
[M-H]-	508.131454	220.3
[M+NH4]+	527.172553	218.8
[M+K]+	548.101888	210.2
[M+H-H2O]+	492.135990	205.1
[M+HCOO]-	554.136931	222.2
[M+CH3COO]-	568.152581	241.6
[M+Na-2H]-	530.113396	213.4
[M]+	509.13818142	215.1
[M]-	509.13927858	215.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

510.146006

213.5

[M+Na]+

532.127948

215.0

[M-H]-

508.131454

220.3

[M+NH4]+

527.172553

218.8

[M+K]+

548.101888

210.2

[M+H-H2O]+

492.135990

205.1

[M+HCOO]-

554.136931

222.2

[M+CH3COO]-

568.152581

241.6

[M+Na-2H]-

530.113396

213.4

[M]+

509.13818142

215.1

[M]-

509.13927858

215.1

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

Rac trans-2-hydroxy glyburide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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