CID 6510244

Benzoic acid, 4-(((1-(1-piperidinyl)ethylidene)amino)sulfonyl)-, methyl ester

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]+ 325.121656 173.3
[M+Na]+ 347.103598 177.6
[M-H]- 323.107104 179.0
[M+NH4]+ 342.148203 186.3
[M+K]+ 363.077538 175.2
[M+H-H2O]+ 307.111640 165.0
[M+HCOO]- 369.112581 187.2
[M+CH3COO]- 383.128231 206.2
[M+Na-2H]- 345.089046 174.6
[M]+ 324.11383142 173.7
[M]- 324.11492858 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.