CID 81157

6649-75-8

Structural Information

Molecular Formula
C11H12N2OS
SMILES
C1CSC(=N)N1CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2OS/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9/h1-5,12H,6-8H2
InChIKey
BWBNCWBMASOYQZ-UHFFFAOYSA-N
Compound name
2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

220.06703 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.074306 148.1
[M+Na]+ 243.056248 154.8
[M-H]- 219.059754 153.4
[M+NH4]+ 238.100853 166.9
[M+K]+ 259.030188 151.0
[M+H-H2O]+ 203.064290 141.0
[M+HCOO]- 265.065231 165.6
[M+CH3COO]- 279.080881 187.1
[M+Na-2H]- 241.041696 148.8
[M]+ 220.06648142 146.1
[M]- 220.06757858 146.1
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.