CID 355082

Nsc608060

Structural Information

Molecular Formula
C7H7N3O2S
SMILES
COC(=O)NC1=CN2C=CSC2=N1
InChI
InChI=1S/C7H7N3O2S/c1-12-7(11)9-5-4-10-2-3-13-6(10)8-5/h2-4H,1H3,(H,9,11)
InChIKey
WRYJOYCTSAZALC-UHFFFAOYSA-N
Compound name
methyl N-imidazo[2,1-b][1,3]thiazol-6-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0259 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03318 138.4
[M+Na]+ 220.01512 149.7
[M-H]- 196.01862 142.0
[M+NH4]+ 215.05972 160.5
[M+K]+ 235.98906 148.1
[M+H-H2O]+ 180.02316 132.5
[M+HCOO]- 242.02410 159.6
[M+CH3COO]- 256.03975 180.7
[M+Na-2H]- 218.00057 142.2
[M]+ 197.02535 144.1
[M]- 197.02645 144.1
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.