CID 913916

Nsc623790

Structural Information

Molecular Formula
C13H12N2O2S
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)N3CCN=C3S2
InChI
InChI=1S/C13H12N2O2S/c1-17-10-4-2-9(3-5-10)8-11-12(16)15-7-6-14-13(15)18-11/h2-5,8H,6-7H2,1H3/b11-8-
InChIKey
IANPDPCQGWKFJB-FLIBITNWSA-N
Compound name
(2Z)-2-[(4-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.06195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.069226 156.9
[M+Na]+ 283.051168 169.4
[M-H]- 259.054674 163.8
[M+NH4]+ 278.095773 177.1
[M+K]+ 299.025108 164.9
[M+H-H2O]+ 243.059210 150.7
[M+HCOO]- 305.060151 176.6
[M+CH3COO]- 319.075801 170.8
[M+Na-2H]- 281.036616 157.8
[M]+ 260.06140142 162.5
[M]- 260.06249858 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.