CID 90543

24570-88-5

Structural Information

Molecular Formula
C11H16N2O3S
SMILES
CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C11H16N2O3S/c1-3-8-12-11(14)13-17(15,16)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,12,13,14)
InChIKey
QSLBKVNCTRJJNT-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

256.08817 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.095446 156.1
[M+Na]+ 279.077388 162.5
[M-H]- 255.080894 159.7
[M+NH4]+ 274.121993 172.9
[M+K]+ 295.051328 159.4
[M+H-H2O]+ 239.085430 149.3
[M+HCOO]- 301.086371 175.1
[M+CH3COO]- 315.102021 195.7
[M+Na-2H]- 277.062836 159.9
[M]+ 256.08762142 158.4
[M]- 256.08871858 158.4
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

patents stripe