CID 332134

72083-47-7

Structural Information

Molecular Formula
C11H13N3O4S
SMILES
CCOC(=O)NC1=NC2=C(S1)N(C(=C2)C(=O)OC)C
InChI
InChI=1S/C11H13N3O4S/c1-4-18-11(16)13-10-12-6-5-7(9(15)17-3)14(2)8(6)19-10/h5H,4H2,1-3H3,(H,12,13,16)
InChIKey
KIVXZIUMZMPCKJ-UHFFFAOYSA-N
Compound name
methyl 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

283.06268 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06996 162.3
[M+Na]+ 306.05190 172.8
[M-H]- 282.05540 166.1
[M+NH4]+ 301.09650 181.1
[M+K]+ 322.02584 171.3
[M+H-H2O]+ 266.05994 156.4
[M+HCOO]- 328.06088 181.6
[M+CH3COO]- 342.07653 198.5
[M+Na-2H]- 304.03735 162.2
[M]+ 283.06213 171.5
[M]- 283.06323 171.5
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.