CID 2810413

685506-42-7

Structural Information

Molecular Formula
C17H21N3O4S
SMILES
CC1=C(C=C(O1)S(=O)(=O)N2CCCCC2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)
InChIKey
LVOVQRPAMXCXTM-UHFFFAOYSA-N
Compound name
1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

19
Patents

363.12527 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13255 181.9
[M+Na]+ 386.11449 190.6
[M+NH4]+ 381.15909 187.6
[M+K]+ 402.08843 186.4
[M-H]- 362.11799 186.8
[M+Na-2H]- 384.09994 187.6
[M]+ 363.12472 184.6
[M]- 363.12582 184.6
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