CID 664327

Methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
COC(=O)C1=C(SC(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2O2S/c1-15-10(14)8-9(16-11(12)13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13)
InChIKey
FKNMSTRVGQEASS-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

136
Patents

234.0463 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.053576 149.9
[M+Na]+ 257.035518 159.1
[M-H]- 233.039024 155.9
[M+NH4]+ 252.080123 168.4
[M+K]+ 273.009458 155.6
[M+H-H2O]+ 217.043560 142.9
[M+HCOO]- 279.044501 169.7
[M+CH3COO]- 293.060151 189.2
[M+Na-2H]- 255.020966 150.9
[M]+ 234.04575142 152.1
[M]- 234.04684858 152.1
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