CID 88002

19288-66-5

Structural Information

Molecular Formula
C14H19N3O5S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)[N+](=O)[O-]
InChI
InChI=1S/C14H19N3O5S/c1-10-7-8-12(9-13(10)17(19)20)23(21,22)16-14(18)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,15,16,18)
InChIKey
TUVKYMVGCJODMA-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(4-methyl-3-nitrophenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.10455 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.111826 171.5
[M+Na]+ 364.093768 173.4
[M-H]- 340.097274 176.8
[M+NH4]+ 359.138373 182.9
[M+K]+ 380.067708 166.1
[M+H-H2O]+ 324.101810 168.0
[M+HCOO]- 386.102751 187.7
[M+CH3COO]- 400.118401 203.6
[M+Na-2H]- 362.079216 176.4
[M]+ 341.10400142 166.8
[M]- 341.10509858 166.8
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.