CID 3067429

81514-39-8

Structural Information

Molecular Formula
C22H29ClN4O6S2
SMILES
COC1=C(C=C(C(=C1)N)Cl)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
InChI
InChI=1S/C22H29ClN4O6S2/c1-33-20-14-19(24)18(23)13-21(20)35(31,32)25-12-11-15-7-9-17(10-8-15)34(29,30)27-22(28)26-16-5-3-2-4-6-16/h7-10,13-14,16,25H,2-6,11-12,24H2,1H3,(H2,26,27,28)
InChIKey
HUUCVIXSQOUWRF-UHFFFAOYSA-N
Compound name
1-[4-[2-[(4-amino-5-chloro-2-methoxyphenyl)sulfonylamino]ethyl]phenyl]sulfonyl-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.1217 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.12898 217.0
[M+Na]+ 567.11092 222.5
[M+NH4]+ 562.15552 220.1
[M+K]+ 583.08486 215.8
[M-H]- 543.11442 220.1
[M+Na-2H]- 565.09637 222.2
[M]+ 544.12115 219.2
[M]- 544.12225 219.2
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.