CID 6449135

Brn 4188255

Structural Information

Molecular Formula
C12H10N2OS
SMILES
C1CSC2=N/C(=C/C3=CC=CC=C3)/C(=O)N21
InChI
InChI=1S/C12H10N2OS/c15-11-10(8-9-4-2-1-3-5-9)13-12-14(11)6-7-16-12/h1-5,8H,6-7H2/b10-8+
InChIKey
POWPUTAMMJNEFI-CSKARUKUSA-N
Compound name
(6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.05139 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05867 151.0
[M+Na]+ 253.04061 161.2
[M-H]- 229.04411 156.8
[M+NH4]+ 248.08521 171.9
[M+K]+ 269.01455 156.9
[M+H-H2O]+ 213.04865 144.6
[M+HCOO]- 275.04959 168.0
[M+CH3COO]- 289.06524 164.1
[M+Na-2H]- 251.02606 151.0
[M]+ 230.05084 151.6
[M]- 230.05194 151.6
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.