CID 3057105

Urea, 1-cyclohexyl-3-(3,4-dimethoxybenzenesulfonyl)-

Structural Information

Molecular Formula
C15H22N2O5S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)OC
InChI
InChI=1S/C15H22N2O5S/c1-21-13-9-8-12(10-14(13)22-2)23(19,20)17-15(18)16-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,16,17,18)
InChIKey
PAZRSWRNQCLLIG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(3,4-dimethoxyphenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12494 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13222 175.6
[M+Na]+ 365.11416 179.0
[M-H]- 341.11766 181.1
[M+NH4]+ 360.15876 188.2
[M+K]+ 381.08810 176.6
[M+H-H2O]+ 325.12220 167.7
[M+HCOO]- 387.12314 191.1
[M+CH3COO]- 401.13879 210.4
[M+Na-2H]- 363.09961 177.9
[M]+ 342.12439 176.1
[M]- 342.12549 176.1
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.