CID 11032

Antidipsin

Structural Information

Molecular Formula
C15H23NO4S
SMILES
CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C15H23NO4S/c1-3-5-11-16(12-6-4-2)21(19,20)14-9-7-13(8-10-14)15(17)18/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)
InChIKey
HLLSOEKIMZEGFV-UHFFFAOYSA-N
Compound name
4-(dibutylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4131
Patents

313.13477 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14205 172.6
[M+Na]+ 336.12399 177.5
[M-H]- 312.12749 175.5
[M+NH4]+ 331.16859 187.1
[M+K]+ 352.09793 174.7
[M+H-H2O]+ 296.13203 165.4
[M+HCOO]- 358.13297 188.5
[M+CH3COO]- 372.14862 206.9
[M+Na-2H]- 334.10944 173.1
[M]+ 313.13422 178.2
[M]- 313.13532 178.2
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

patents stripe