CID 841429

10080-05-4

Structural Information

Molecular Formula
C15H23N3O3S
SMILES
C1CCC(CC1)NC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C15H23N3O3S/c16-22(20,21)14-8-6-12(7-9-14)10-11-17-15(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,16,20,21)(H2,17,18,19)
InChIKey
NIMGDPRCIUIRNT-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

325.14603 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15331 172.4
[M+Na]+ 348.13525 174.5
[M-H]- 324.13875 176.9
[M+NH4]+ 343.17985 185.0
[M+K]+ 364.10919 170.4
[M+H-H2O]+ 308.14329 164.3
[M+HCOO]- 370.14423 187.8
[M+CH3COO]- 384.15988 209.5
[M+Na-2H]- 346.12070 174.5
[M]+ 325.14548 167.9
[M]- 325.14658 167.9
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.