CID 4341088

1,1-dipropyl-3-(p-tolylsulfonyl)urea

Structural Information

Molecular Formula
C14H22N2O3S
SMILES
CCCN(CCC)C(=O)NS(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C14H22N2O3S/c1-4-10-16(11-5-2)14(17)15-20(18,19)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKey
ZHJMDLKMSUTJQX-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)sulfonyl-1,1-dipropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1351 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14238 170.1
[M+Na]+ 321.12432 178.3
[M+NH4]+ 316.16892 176.0
[M+K]+ 337.09826 171.9
[M-H]- 297.12782 171.0
[M+Na-2H]- 319.10977 174.1
[M]+ 298.13455 171.7
[M]- 298.13565 171.7
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.