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]+ 269.01460 156.4
[M+Na]+ 290.99654 167.1
[M-H]- 267.00004 162.7
[M+NH4]+ 286.04114 174.7
[M+K]+ 306.97048 161.9
[M+H-H2O]+ 251.00458 150.4
[M+HCOO]- 313.00552 171.5
[M+CH3COO]- 327.02117 194.1
[M+Na-2H]- 288.98199 156.3
[M]+ 268.00677 161.0
[M]- 268.00787 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.