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]+ 283.089946 164.5
[M+Na]+ 305.071888 169.2
[M-H]- 281.075394 170.5
[M+NH4]+ 300.116493 179.5
[M+K]+ 321.045828 163.3
[M+H-H2O]+ 265.079930 156.4
[M+HCOO]- 327.080871 183.8
[M+CH3COO]- 341.096521 201.5
[M+Na-2H]- 303.057336 167.4
[M]+ 282.08212142 163.0
[M]- 282.08321858 163.0
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.