CID 13513862

Chembl3544715

Structural Information

Molecular Formula
C10H13ClN2O4S
SMILES
CCC(NC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C10H13ClN2O4S/c1-2-9(14)12-10(15)13-18(16,17)8-5-3-7(11)4-6-8/h3-6,9,14H,2H2,1H3,(H2,12,13,15)
InChIKey
KFZPWGMPVBXMQF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-3-(1-hydroxypropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.02844 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03572 159.9
[M+Na]+ 315.01766 166.3
[M-H]- 291.02116 162.4
[M+NH4]+ 310.06226 175.2
[M+K]+ 330.99160 162.0
[M+H-H2O]+ 275.02570 154.7
[M+HCOO]- 337.02664 172.6
[M+CH3COO]- 351.04229 197.1
[M+Na-2H]- 313.00311 162.7
[M]+ 292.02789 162.9
[M]- 292.02899 162.9
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.