CID 12818200

Glibornuride

Structural Information

Molecular Formula
C18H26N2O4S
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

compound 2d structure
4
Annotation Hits

9
References

5032
Patents

366.16132 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16860 182.0
[M+Na]+ 389.15054 187.2
[M+NH4]+ 384.19514 190.6
[M+K]+ 405.12448 181.9
[M-H]- 365.15404 182.0
[M+Na-2H]- 387.13599 185.7
[M]+ 366.16077 183.1
[M]- 366.16187 183.1
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

patents stripe