CID 3759211

2-chloro-n-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]acetamide

Structural Information

Molecular Formula
C14H19ClN2O4S
SMILES
COC1=C(C=C(C=C1)NC(=O)CCl)S(=O)(=O)N2CCCCC2
InChI
InChI=1S/C14H19ClN2O4S/c1-21-12-6-5-11(16-14(18)10-15)9-13(12)22(19,20)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKey
NTOOHRZZOSTNPR-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0754 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08268 175.0
[M+Na]+ 369.06462 180.6
[M-H]- 345.06812 179.7
[M+NH4]+ 364.10922 187.6
[M+K]+ 385.03856 176.2
[M+H-H2O]+ 329.07266 168.0
[M+HCOO]- 391.07360 184.0
[M+CH3COO]- 405.08925 206.9
[M+Na-2H]- 367.05007 176.5
[M]+ 346.07485 177.2
[M]- 346.07595 177.2
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.