CID 367467

Nsc637199

Structural Information

Molecular Formula
C17H20N2O3S
SMILES
CCC1=CC=CC(=C1NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C
InChI
InChI=1S/C17H20N2O3S/c1-4-14-7-5-6-13(3)16(14)18-17(20)19-23(21,22)15-10-8-12(2)9-11-15/h5-11H,4H2,1-3H3,(H2,18,19,20)
InChIKey
GAIWCIYJFTXIBB-UHFFFAOYSA-N
Compound name
1-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.11948 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12676 176.7
[M+Na]+ 355.10870 183.6
[M-H]- 331.11220 183.6
[M+NH4]+ 350.15330 190.5
[M+K]+ 371.08264 178.9
[M+H-H2O]+ 315.11674 168.7
[M+HCOO]- 377.11768 195.3
[M+CH3COO]- 391.13333 212.0
[M+Na-2H]- 353.09415 179.2
[M]+ 332.11893 179.5
[M]- 332.12003 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.