CID 3040371

Urea, 1-(p-chlorobenzenesulfonyl)-3-isobutyl-

Structural Information

Molecular Formula
C11H15ClN2O3S
SMILES
CC(C)CNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H15ClN2O3S/c1-8(2)7-13-11(15)14-18(16,17)10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKey
IAJQAKIQKOGHKR-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-3-(2-methylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0492 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.05648 161.9
[M+Na]+ 313.03842 168.6
[M-H]- 289.04192 165.7
[M+NH4]+ 308.08302 178.2
[M+K]+ 329.01236 164.3
[M+H-H2O]+ 273.04646 156.4
[M+HCOO]- 335.04740 175.5
[M+CH3COO]- 349.06305 200.3
[M+Na-2H]- 311.02387 164.3
[M]+ 290.04865 165.7
[M]- 290.04975 165.7
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.