CID 260381

3-anilinorhodanine

Structural Information

Molecular Formula
C9H8N2OS2
SMILES
C1C(=O)N(C(=S)S1)NC2=CC=CC=C2
InChI
InChI=1S/C9H8N2OS2/c12-8-6-14-9(13)11(8)10-7-4-2-1-3-5-7/h1-5,10H,6H2
InChIKey
SNRGCDPTDOAQEQ-UHFFFAOYSA-N
Compound name
3-anilino-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

15
Patents

224.00781 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.01509 144.9
[M+Na]+ 246.99703 154.1
[M-H]- 223.00053 150.6
[M+NH4]+ 242.04163 164.3
[M+K]+ 262.97097 148.8
[M+H-H2O]+ 207.00507 138.8
[M+HCOO]- 269.00601 158.5
[M+CH3COO]- 283.02166 157.5
[M+Na-2H]- 244.98248 145.1
[M]+ 224.00726 144.3
[M]- 224.00836 144.3
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