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]+ 226.064476 147.5
[M+Na]+ 248.046418 158.8
[M-H]- 224.049924 151.2
[M+NH4]+ 243.091023 168.8
[M+K]+ 264.020358 156.6
[M+H-H2O]+ 208.054460 141.6
[M+HCOO]- 270.055401 168.0
[M+CH3COO]- 284.071051 187.8
[M+Na-2H]- 246.031866 149.6
[M]+ 225.05665142 154.3
[M]- 225.05774858 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.