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]+ 261.06923 156.9
[M+Na]+ 283.05117 169.4
[M-H]- 259.05467 163.8
[M+NH4]+ 278.09577 177.1
[M+K]+ 299.02511 164.9
[M+H-H2O]+ 243.05921 150.7
[M+HCOO]- 305.06015 176.6
[M+CH3COO]- 319.07580 170.8
[M+Na-2H]- 281.03662 157.8
[M]+ 260.06140 162.5
[M]- 260.06250 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.