CID 6510244

Methyl 4-(((1-(1-piperidinyl)ethylidene)amino)sulfonyl)benzoate

Structural Information

Molecular Formula
C15H20N2O4S
SMILES
C/C(=N/S(=O)(=O)C1=CC=C(C=C1)C(=O)OC)/N2CCCCC2
InChI
InChI=1S/C15H20N2O4S/c1-12(17-10-4-3-5-11-17)16-22(19,20)14-8-6-13(7-9-14)15(18)21-2/h6-9H,3-5,10-11H2,1-2H3/b16-12-
InChIKey
NAHJOQHSOOHJGH-VBKFSLOCSA-N
Compound name
methyl 4-[(Z)-1-piperidin-1-ylethylideneamino]sulfonylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.11438 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12166 172.1
[M+Na]+ 347.10360 180.9
[M+NH4]+ 342.14820 177.8
[M+K]+ 363.07754 174.9
[M-H]- 323.10710 173.5
[M+Na-2H]- 345.08905 177.1
[M]+ 324.11383 173.8
[M]- 324.11493 173.8
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.