CID 6852167

Qs3xfl5jrx

Structural Information

Molecular Formula
C14H16ClN3O4S2
SMILES
CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO
InChI
InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
InChIKey
JFVNFXCESCXMBC-UHFFFAOYSA-N
Compound name
N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

820
Patents

389.02707 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.03435 185.5
[M+Na]+ 412.01629 193.8
[M-H]- 388.01979 190.2
[M+NH4]+ 407.06089 198.0
[M+K]+ 427.99023 186.7
[M+H-H2O]+ 372.02433 179.7
[M+HCOO]- 434.02527 193.2
[M+CH3COO]- 448.04092 215.1
[M+Na-2H]- 410.00174 185.1
[M]+ 389.02652 191.3
[M]- 389.02762 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe