CID 3067462

Brn 5672196

Structural Information

Molecular Formula
C22H28ClN3O6S2
SMILES
COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
InChI
InChI=1S/C22H28ClN3O6S2/c1-32-20-12-9-17(23)15-21(20)34(30,31)24-14-13-16-7-10-19(11-8-16)33(28,29)26-22(27)25-18-5-3-2-4-6-18/h7-12,15,18,24H,2-6,13-14H2,1H3,(H2,25,26,27)
InChIKey
HJCVBJAFOTTXJM-UHFFFAOYSA-N
Compound name
1-[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]ethyl]phenyl]sulfonyl-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.1108 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.11808 214.3
[M+Na]+ 552.10002 221.2
[M+NH4]+ 547.14462 218.1
[M+K]+ 568.07396 213.5
[M-H]- 528.10352 217.4
[M+Na-2H]- 550.08547 220.3
[M]+ 529.11025 216.9
[M]- 529.11135 216.9
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.