CID 131770000

2-trans-hydroxycyclohexyl glyburide

Structural Information

Molecular Formula
C23H28ClN3O6S
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.13873 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.14601 214.0
[M+Na]+ 532.12795 221.4
[M+NH4]+ 527.17255 217.6
[M+K]+ 548.10189 215.3
[M-H]- 508.13145 217.4
[M+Na-2H]- 530.11340 219.0
[M]+ 509.13818 216.2
[M]- 509.13928 216.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.