CID 2404270

1-(2,3,5,6-tetramethylbenzenesulfonyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C16H23NO4S
SMILES
CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)O)C)C
InChI
InChI=1S/C16H23NO4S/c1-10-9-11(2)13(4)15(12(10)3)22(20,21)17-7-5-14(6-8-17)16(18)19/h9,14H,5-8H2,1-4H3,(H,18,19)
InChIKey
JDZUJZPRQPGONL-UHFFFAOYSA-N
Compound name
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.13477 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14205 175.4
[M+Na]+ 348.12399 186.0
[M+NH4]+ 343.16859 181.1
[M+K]+ 364.09793 179.9
[M-H]- 324.12749 176.2
[M+Na-2H]- 346.10944 178.6
[M]+ 325.13422 177.4
[M]- 325.13532 177.4
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

No patent data available for this compound.