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 173.3
[M+Na]+ 347.10360 177.6
[M-H]- 323.10710 179.0
[M+NH4]+ 342.14820 186.3
[M+K]+ 363.07754 175.2
[M+H-H2O]+ 307.11164 165.0
[M+HCOO]- 369.11258 187.2
[M+CH3COO]- 383.12823 206.2
[M+Na-2H]- 345.08905 174.6
[M]+ 324.11383 173.7
[M]- 324.11493 173.7
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.