CID 211386

Urea, 1-propyl-3-(m-tolylsulfonyl)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.08817 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09545 156.1
[M+Na]+ 279.07739 162.5
[M-H]- 255.08089 159.7
[M+NH4]+ 274.12199 172.9
[M+K]+ 295.05133 159.4
[M+H-H2O]+ 239.08543 149.3
[M+HCOO]- 301.08637 175.1
[M+CH3COO]- 315.10202 195.7
[M+Na-2H]- 277.06284 159.9
[M]+ 256.08762 158.4
[M]- 256.08872 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

literature stripe

Patent stripe

No patent data available for this compound.