CID 3076944

(3-oxo-3-phenylpropanal thiobenzoylhydrazonato)ammino-nickel(ii)

Structural Information

Molecular Formula
C16H14N2OS
SMILES
C1=CC=C(C=C1)C(=O)C=CNNC(=S)C2=CC=CC=C2
InChI
InChI=1S/C16H14N2OS/c19-15(13-7-3-1-4-8-13)11-12-17-18-16(20)14-9-5-2-6-10-14/h1-12,17H,(H,18,20)
InChIKey
PHAUWTDMBWTYEF-UHFFFAOYSA-N
Compound name
N'-(3-oxo-3-phenylprop-1-enyl)benzenecarbothiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08267 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 164.5
[M+Na]+ 305.07189 175.8
[M+NH4]+ 300.11649 172.4
[M+K]+ 321.04583 166.3
[M-H]- 281.07539 169.5
[M+Na-2H]- 303.05734 173.0
[M]+ 282.08212 167.8
[M]- 282.08322 167.8
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.