CID 3067417

Brn 5664988

Structural Information

Molecular Formula
C20H26ClN3O6S2
SMILES
CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CCNS(=O)(=O)C2=C(C=CC(=C2)Cl)OC
InChI
InChI=1S/C20H26ClN3O6S2/c1-3-4-12-22-20(25)24-31(26,27)17-8-5-15(6-9-17)11-13-23-32(28,29)19-14-16(21)7-10-18(19)30-2/h5-10,14,23H,3-4,11-13H2,1-2H3,(H2,22,24,25)
InChIKey
WWKXVWRLLFKPCN-UHFFFAOYSA-N
Compound name
1-butyl-3-[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]ethyl]phenyl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.09515 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.10243 212.6
[M+Na]+ 526.08437 216.4
[M-H]- 502.08787 217.8
[M+NH4]+ 521.12897 219.3
[M+K]+ 542.05831 209.7
[M+H-H2O]+ 486.09241 204.5
[M+HCOO]- 548.09335 220.4
[M+CH3COO]- 562.10900 239.0
[M+Na-2H]- 524.06982 216.1
[M]+ 503.09460 220.2
[M]- 503.09570 220.2
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.