CID 337147

72083-53-5

Structural Information

Molecular Formula
C9H11N3O2S
SMILES
CCOC(=O)NC1=NC2=C(S1)N(C=C2)C
InChI
InChI=1S/C9H11N3O2S/c1-3-14-9(13)11-8-10-6-4-5-12(2)7(6)15-8/h4-5H,3H2,1-2H3,(H,10,11,13)
InChIKey
LSQDBHRMANDFSV-UHFFFAOYSA-N
Compound name
ethyl N-(4-methylpyrrolo[3,2-d][1,3]thiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0572 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06448 147.5
[M+Na]+ 248.04642 158.8
[M-H]- 224.04992 151.2
[M+NH4]+ 243.09102 168.8
[M+K]+ 264.02036 156.6
[M+H-H2O]+ 208.05446 141.6
[M+HCOO]- 270.05540 168.0
[M+CH3COO]- 284.07105 187.8
[M+Na-2H]- 246.03187 149.6
[M]+ 225.05665 154.3
[M]- 225.05775 154.3
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.