CID 16226848

873810-49-2

Structural Information

Molecular Formula
C14H19ClN2O4S
SMILES
CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCl
InChI
InChI=1S/C14H19ClN2O4S/c1-10-8-17(9-11(2)21-10)22(19,20)13-5-3-12(4-6-13)16-14(18)7-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)
InChIKey
FFPDNVPIQHMRJP-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08268 176.0
[M+Na]+ 369.06462 182.7
[M-H]- 345.06812 181.9
[M+NH4]+ 364.10922 187.7
[M+K]+ 385.03856 179.2
[M+H-H2O]+ 329.07266 169.2
[M+HCOO]- 391.07360 184.2
[M+CH3COO]- 405.08925 208.4
[M+Na-2H]- 367.05007 177.4
[M]+ 346.07485 179.1
[M]- 346.07595 179.1
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.