CID 6478152

Schembl15863544

Structural Information

Molecular Formula
C16H12N2O2S2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)N
InChI
InChI=1S/C16H12N2O2S2/c17-18-15(19)14(22-16(18)21)10-11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-10H,17H2/b14-10+
InChIKey
ZUQPYRYUMBBRGF-GXDHUFHOSA-N
Compound name
(5E)-3-amino-5-[(4-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.03403 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.04131 173.7
[M+Na]+ 351.02325 183.1
[M-H]- 327.02675 181.9
[M+NH4]+ 346.06785 188.6
[M+K]+ 366.99719 175.2
[M+H-H2O]+ 311.03129 166.5
[M+HCOO]- 373.03223 186.5
[M+CH3COO]- 387.04788 184.5
[M+Na-2H]- 349.00870 171.2
[M]+ 328.03348 173.5
[M]- 328.03458 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe