CID 3067416

Brn 5664169

Structural Information

Molecular Formula
C19H24ClN3O6S2
SMILES
CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CCNS(=O)(=O)C2=C(C=CC(=C2)Cl)OC
InChI
InChI=1S/C19H24ClN3O6S2/c1-3-11-21-19(24)23-30(25,26)16-7-4-14(5-8-16)10-12-22-31(27,28)18-13-15(20)6-9-17(18)29-2/h4-9,13,22H,3,10-12H2,1-2H3,(H2,21,23,24)
InChIKey
PCMYTJTWRUILRU-UHFFFAOYSA-N
Compound name
1-[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]ethyl]phenyl]sulfonyl-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.0795 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.08678 208.7
[M+Na]+ 512.06872 213.0
[M-H]- 488.07222 214.1
[M+NH4]+ 507.11332 216.0
[M+K]+ 528.04266 206.4
[M+H-H2O]+ 472.07676 200.8
[M+HCOO]- 534.07770 216.8
[M+CH3COO]- 548.09335 236.2
[M+Na-2H]- 510.05417 212.6
[M]+ 489.07895 216.0
[M]- 489.08005 216.0
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.