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 181.4
[M+Na]+ 364.15530 185.4
[M-H]- 340.15880 183.9
[M+NH4]+ 359.19990 194.8
[M+K]+ 380.12924 182.2
[M+H-H2O]+ 324.16334 173.9
[M+HCOO]- 386.16428 196.7
[M+CH3COO]- 400.17993 212.8
[M+Na-2H]- 362.14075 181.0
[M]+ 341.16553 187.7
[M]- 341.16663 187.7
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.