CID 3055031

P-acetamidobenzenesulfonylamino-2 beta-morpholinoethyl-5 thiazole [french]

Structural Information

Molecular Formula
C17H22N4O4S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(S2)CCN3CCOCC3
InChI
InChI=1S/C17H22N4O4S2/c1-13(22)19-14-2-4-16(5-3-14)27(23,24)20-17-18-12-15(26-17)6-7-21-8-10-25-11-9-21/h2-5,12H,6-11H2,1H3,(H,18,20)(H,19,22)
InChIKey
ATTJVEKIQROJSL-UHFFFAOYSA-N
Compound name
N-[4-[[5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.10825 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.11553 189.1
[M+Na]+ 433.09747 196.8
[M+NH4]+ 428.14207 194.1
[M+K]+ 449.07141 191.2
[M-H]- 409.10097 193.3
[M+Na-2H]- 431.08292 194.0
[M]+ 410.10770 191.9
[M]- 410.10880 191.9
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.