CID 601008

Ethyl 2-aminobenzo[d]thiazole-6-carboxylate

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N
InChI
InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)
InChIKey
VYJSGJXWKSDUSG-UHFFFAOYSA-N
Compound name
ethyl 2-amino-1,3-benzothiazole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

401
Patents

222.0463 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 145.3
[M+Na]+ 245.03552 156.0
[M-H]- 221.03902 149.3
[M+NH4]+ 240.08012 165.8
[M+K]+ 261.00946 152.7
[M+H-H2O]+ 205.04356 139.4
[M+HCOO]- 267.04450 165.3
[M+CH3COO]- 281.06015 187.7
[M+Na-2H]- 243.02097 148.6
[M]+ 222.04575 150.1
[M]- 222.04685 150.1
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