CID 46739000

Methyl 2-amino-4-(3-chlorophenyl)thiazole-5-carboxylate

Structural Information

Molecular Formula
C11H9ClN2O2S
SMILES
COC(=O)C1=C(N=C(S1)N)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H9ClN2O2S/c1-16-10(15)9-8(14-11(13)17-9)6-3-2-4-7(12)5-6/h2-5H,1H3,(H2,13,14)
InChIKey
JVRZGXBKKHCLFW-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.00732 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.014596 156.4
[M+Na]+ 290.996538 167.1
[M-H]- 267.000044 162.7
[M+NH4]+ 286.041143 174.7
[M+K]+ 306.970478 161.9
[M+H-H2O]+ 251.004580 150.4
[M+HCOO]- 313.005521 171.5
[M+CH3COO]- 327.021171 194.1
[M+Na-2H]- 288.981986 156.3
[M]+ 268.00677142 161.0
[M]- 268.00786858 161.0
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.