CID 88812

21165-77-5

Structural Information

Molecular Formula
C18H19ClN2O6S
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)OC
InChI
InChI=1S/C18H19ClN2O6S/c1-26-16-8-5-13(19)11-15(16)17(22)20-10-9-12-3-6-14(7-4-12)28(24,25)21-18(23)27-2/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
FHUMMCKSSXULQH-UHFFFAOYSA-N
Compound name
methyl N-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

426.06525 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.07253 194.1
[M+Na]+ 449.05447 200.3
[M-H]- 425.05797 201.0
[M+NH4]+ 444.09907 204.5
[M+K]+ 465.02841 196.1
[M+H-H2O]+ 409.06251 186.6
[M+HCOO]- 471.06345 207.8
[M+CH3COO]- 485.07910 224.7
[M+Na-2H]- 447.03992 195.8
[M]+ 426.06470 202.4
[M]- 426.06580 202.4
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

patents stripe