CID 135431189

2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C10H8BrN3O2S
SMILES
C1C(=O)NC(=NN=CC2=C(C=CC(=C2)Br)O)S1
InChI
InChI=1S/C10H8BrN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-4,15H,5H2,(H,13,14,16)
InChIKey
BUPWPQSTALKSKT-UHFFFAOYSA-N
Compound name
2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.95206 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.95934 151.6
[M+Na]+ 335.94128 163.2
[M-H]- 311.94478 160.0
[M+NH4]+ 330.98588 170.6
[M+K]+ 351.91522 149.9
[M+H-H2O]+ 295.94932 150.3
[M+HCOO]- 357.95026 169.7
[M+CH3COO]- 371.96591 199.9
[M+Na-2H]- 333.92673 155.4
[M]+ 312.95151 169.1
[M]- 312.95261 169.1
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

No patent data available for this compound.