CID 3153634

179051-22-0

Structural Information

Molecular Formula
C16H17NO4S
SMILES
C1CC(CN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O
InChI
InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)
InChIKey
KTQWWYGLWQVHDM-UHFFFAOYSA-N
Compound name
1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

319.08783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09511 168.8
[M+Na]+ 342.07705 180.4
[M+NH4]+ 337.12165 175.9
[M+K]+ 358.05099 173.2
[M-H]- 318.08055 170.8
[M+Na-2H]- 340.06250 174.6
[M]+ 319.08728 171.4
[M]- 319.08838 171.4
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