CID 135473713

Rhodanine, 3-salicylideneamino-

Structural Information

Molecular Formula
C10H8N2O2S2
SMILES
C1C(=O)N(C(=S)S1)/N=C/C2=CC=CC=C2O
InChI
InChI=1S/C10H8N2O2S2/c13-8-4-2-1-3-7(8)5-11-12-9(14)6-16-10(12)15/h1-5,13H,6H2/b11-5+
InChIKey
MFYPPBDQQGTAFD-VZUCSPMQSA-N
Compound name
3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.00272 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.01000 152.6
[M+Na]+ 274.99194 162.1
[M-H]- 250.99544 158.3
[M+NH4]+ 270.03654 170.8
[M+K]+ 290.96588 156.4
[M+H-H2O]+ 234.99998 146.4
[M+HCOO]- 297.00092 166.1
[M+CH3COO]- 311.01657 190.9
[M+Na-2H]- 272.97739 151.8
[M]+ 252.00217 153.2
[M]- 252.00327 153.2
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

No patent data available for this compound.