CID 52939

74156-36-8

Structural Information

Molecular Formula
C14H21NO5S
SMILES
CCCCOC1=CC(=C(C=C1)S(=O)(=O)N)C(=O)OC(C)C
InChI
InChI=1S/C14H21NO5S/c1-4-5-8-19-11-6-7-13(21(15,17)18)12(9-11)14(16)20-10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,17,18)
InChIKey
MBOSSELXLBNNBW-UHFFFAOYSA-N
Compound name
propan-2-yl 5-butoxy-2-sulfamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.11404 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12132 172.1
[M+Na]+ 338.10326 180.1
[M+NH4]+ 333.14786 176.8
[M+K]+ 354.07720 175.2
[M-H]- 314.10676 171.1
[M+Na-2H]- 336.08871 174.2
[M]+ 315.11349 173.0
[M]- 315.11459 173.0
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.