CID 97673

3-benzylrhodanine

Structural Information

Molecular Formula
C10H9NOS2
SMILES
C1C(=O)N(C(=S)S1)CC2=CC=CC=C2
InChI
InChI=1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
ZFHVUMCTGGAWBM-UHFFFAOYSA-N
Compound name
3-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

162
Patents

223.01256 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01984 146.7
[M+Na]+ 246.00178 158.4
[M+NH4]+ 241.04638 156.1
[M+K]+ 261.97572 149.3
[M-H]- 222.00528 150.2
[M+Na-2H]- 243.98723 152.1
[M]+ 223.01201 150.3
[M]- 223.01311 150.3
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