CID 337143

72083-48-8

Structural Information

Molecular Formula
C10H11N3O3S
SMILES
CC(=O)NC1=NC2=C(S1)N(C(=C2)C(=O)OC)C
InChI
InChI=1S/C10H11N3O3S/c1-5(14)11-10-12-6-4-7(9(15)16-3)13(2)8(6)17-10/h4H,1-3H3,(H,11,12,14)
InChIKey
ARLLOSPOTZRECM-UHFFFAOYSA-N
Compound name
methyl 2-acetamido-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05211 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05939 154.9
[M+Na]+ 276.04133 166.1
[M-H]- 252.04483 158.9
[M+NH4]+ 271.08593 175.0
[M+K]+ 292.01527 164.2
[M+H-H2O]+ 236.04937 149.2
[M+HCOO]- 298.05031 174.3
[M+CH3COO]- 312.06596 194.1
[M+Na-2H]- 274.02678 155.0
[M]+ 253.05156 162.5
[M]- 253.05266 162.5
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.