CID 337146

72083-46-6

Structural Information

Molecular Formula
C12H15N3O4S
SMILES
CCOC(=O)C1=CC2=C(N1C)SC(=N2)NC(=O)OCC
InChI
InChI=1S/C12H15N3O4S/c1-4-18-10(16)8-6-7-9(15(8)3)20-11(13-7)14-12(17)19-5-2/h6H,4-5H2,1-3H3,(H,13,14,17)
InChIKey
PQCKMCMCYCYEKX-UHFFFAOYSA-N
Compound name
ethyl 2-(ethoxycarbonylamino)-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.07834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08562 166.8
[M+Na]+ 320.06756 176.8
[M-H]- 296.07106 170.3
[M+NH4]+ 315.11216 185.0
[M+K]+ 336.04150 175.1
[M+H-H2O]+ 280.07560 160.6
[M+HCOO]- 342.07654 185.7
[M+CH3COO]- 356.09219 201.4
[M+Na-2H]- 318.05301 166.2
[M]+ 297.07779 176.3
[M]- 297.07889 176.3
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.