CID 99828

3-amino-5-benzylidenerhodanine

Structural Information

Molecular Formula
C10H8N2OS2
SMILES
C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)N
InChI
InChI=1S/C10H8N2OS2/c11-12-9(13)8(15-10(12)14)6-7-4-2-1-3-5-7/h1-6H,11H2
InChIKey
RADJDINPADSTBJ-UHFFFAOYSA-N
Compound name
3-amino-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

236.00781 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01509 149.3
[M+Na]+ 258.99703 159.2
[M-H]- 235.00053 154.6
[M+NH4]+ 254.04163 168.1
[M+K]+ 274.97097 152.7
[M+H-H2O]+ 219.00507 143.4
[M+HCOO]- 281.00601 162.1
[M+CH3COO]- 295.02166 161.5
[M+Na-2H]- 256.98248 147.4
[M]+ 236.00726 147.7
[M]- 236.00836 147.7
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