CID 3061823

P-(dipentylsulfamoyl)benzoic acid

Structural Information

Molecular Formula
C17H27NO4S
SMILES
CCCCCN(CCCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C17H27NO4S/c1-3-5-7-13-18(14-8-6-4-2)23(21,22)16-11-9-15(10-12-16)17(19)20/h9-12H,3-8,13-14H2,1-2H3,(H,19,20)
InChIKey
YJHBQZUBRNHJFV-UHFFFAOYSA-N
Compound name
4-(dipentylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16608 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17336 181.6
[M+Na]+ 364.15530 189.4
[M+NH4]+ 359.19990 186.6
[M+K]+ 380.12924 182.8
[M-H]- 340.15880 181.2
[M+Na-2H]- 362.14075 184.2
[M]+ 341.16553 182.7
[M]- 341.16663 182.7
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.