CID 68927

Tioxamast

Structural Information

Molecular Formula
C14H14N2O4S
SMILES
CCOC(=O)C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C14H14N2O4S/c1-3-20-13(18)12(17)16-14-15-11(8-21-14)9-4-6-10(19-2)7-5-9/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKey
ROVWYOFNUFLLNL-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

55
Patents

306.0674 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07468 169.2
[M+Na]+ 329.05662 176.6
[M-H]- 305.06012 175.3
[M+NH4]+ 324.10122 184.8
[M+K]+ 345.03056 174.0
[M+H-H2O]+ 289.06466 161.5
[M+HCOO]- 351.06560 188.2
[M+CH3COO]- 365.08125 201.7
[M+Na-2H]- 327.04207 169.0
[M]+ 306.06685 174.8
[M]- 306.06795 174.8
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