CID 97182225

899352-50-2

Structural Information

Molecular Formula
C12H11BrN2O2S
SMILES
CCOC(=O)C1=C(N=C(S1)N)C2=CC(=CC=C2)Br
InChI
InChI=1S/C12H11BrN2O2S/c1-2-17-11(16)10-9(15-12(14)18-10)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3,(H2,14,15)
InChIKey
MOPOXLOTUGPXDQ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(3-bromophenyl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

325.97247 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.97975 157.0
[M+Na]+ 348.96169 159.4
[M+NH4]+ 344.00629 161.2
[M+K]+ 364.93563 159.9
[M-H]- 324.96519 158.5
[M+Na-2H]- 346.94714 160.2
[M]+ 325.97192 156.9
[M]- 325.97302 156.9
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

patents stripe