CID 205100

17338-11-3

Structural Information

Molecular Formula
C9H10N2S
SMILES
C1CSC(=N)N1C2=CC=CC=C2
InChI
InChI=1S/C9H10N2S/c10-9-11(6-7-12-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
JMNZXDXRTPJQRC-UHFFFAOYSA-N
Compound name
3-phenyl-1,3-thiazolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

178.05647 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.063746 135.8
[M+Na]+ 201.045688 143.6
[M-H]- 177.049194 141.4
[M+NH4]+ 196.090293 156.6
[M+K]+ 217.019628 140.0
[M+H-H2O]+ 161.053730 129.1
[M+HCOO]- 223.054671 154.7
[M+CH3COO]- 237.070321 149.1
[M+Na-2H]- 199.031136 138.5
[M]+ 178.05592142 133.0
[M]- 178.05701858 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe