CID 2273780

6226-55-7

Structural Information

Molecular Formula
C18H19ClN2O4S
SMILES
COC1=C(C=C(C=C1)N(CC(=O)NCC=C)S(=O)(=O)C2=CC=CC=C2)Cl
InChI
InChI=1S/C18H19ClN2O4S/c1-3-11-20-18(22)13-21(14-9-10-17(25-2)16(19)12-14)26(23,24)15-7-5-4-6-8-15/h3-10,12H,1,11,13H2,2H3,(H,20,22)
InChIKey
ZXEBYRNQCFHRTN-UHFFFAOYSA-N
Compound name
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.0754 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08268 189.6
[M+Na]+ 417.06462 200.6
[M+NH4]+ 412.10922 195.4
[M+K]+ 433.03856 192.6
[M-H]- 393.06812 192.6
[M+Na-2H]- 415.05007 196.3
[M]+ 394.07485 192.6
[M]- 394.07595 192.6
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.