CID 482060

Chembl2376273

Structural Information

Molecular Formula
C15H17N3O3S
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C15H17N3O3S/c16-22(20,21)14-8-6-13(7-9-14)18-15(19)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)
InChIKey
PLJMQXCJAOTORD-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-3-(4-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.09906 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10634 170.9
[M+Na]+ 342.08828 176.0
[M-H]- 318.09178 176.7
[M+NH4]+ 337.13288 183.9
[M+K]+ 358.06222 171.2
[M+H-H2O]+ 302.09632 162.5
[M+HCOO]- 364.09726 190.6
[M+CH3COO]- 378.11291 208.3
[M+Na-2H]- 340.07373 175.4
[M]+ 319.09851 170.4
[M]- 319.09961 170.4
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.