PubChemLite - Glibornuride (C18H26N2O4S)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N[C@H]2[C@H]3CC[C@@]([C@H]2O)(C3(C)C)C

InChI

InChI=1S/C18H26N2O4S/c1-11-5-7-12(8-6-11)25(23,24)20-16(22)19-14-13-9-10-18(4,15(14)21)17(13,2)3/h5-8,13-15,21H,9-10H2,1-4H3,(H2,19,20,22)/t13-,14+,15+,18+/m1/s1

InChIKey

RMTYNAPTNBJHQI-LLDVTBCESA-N

Compound name

1-[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)sulfonylurea

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]+	367.16860	182.9
[M+Na]+	389.15054	189.9
[M-H]-	365.15404	187.7
[M+NH4]+	384.19514	204.1
[M+K]+	405.12448	186.3
[M+H-H2O]+	349.15858	180.4
[M+HCOO]-	411.15952	196.7
[M+CH3COO]-	425.17517	215.1
[M+Na-2H]-	387.13599	185.9
[M]+	366.16077	186.1
[M]-	366.16187	186.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

367.16860

182.9

[M+Na]+

389.15054

189.9

[M-H]-

365.15404

187.7

[M+NH4]+

384.19514

204.1

[M+K]+

405.12448

186.3

[M+H-H2O]+

349.15858

180.4

[M+HCOO]-

411.15952

196.7

[M+CH3COO]-

425.17517

215.1

[M+Na-2H]-

387.13599

185.9

[M]+

366.16077

186.1

[M]-

366.16187

186.1

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

Glibornuride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe