CID 362742

4-(naphthalene-2-sulfonamido)butanoic acid

Structural Information

Molecular Formula
C14H15NO4S
SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCC(=O)O
InChI
InChI=1S/C14H15NO4S/c16-14(17)6-3-9-15-20(18,19)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,15H,3,6,9H2,(H,16,17)
InChIKey
PKRVKIZPJPPOED-UHFFFAOYSA-N
Compound name
4-(naphthalen-2-ylsulfonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

293.07217 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07945 163.4
[M+Na]+ 316.06139 173.7
[M+NH4]+ 311.10599 170.0
[M+K]+ 332.03533 166.7
[M-H]- 292.06489 164.0
[M+Na-2H]- 314.04684 168.2
[M]+ 293.07162 165.3
[M]- 293.07272 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe