CID 9588658

1-(2-benzothiazolyl)-1,3-butanedione 3-(phenylhydrazone)

Structural Information

Molecular Formula
C17H15N3OS
SMILES
C/C(=N\NC1=CC=CC=C1)/CC(=O)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C17H15N3OS/c1-12(19-20-13-7-3-2-4-8-13)11-15(21)17-18-14-9-5-6-10-16(14)22-17/h2-10,20H,11H2,1H3/b19-12+
InChIKey
FUZKQTUYCHZESE-XDHOZWIPSA-N
Compound name
(3E)-1-(1,3-benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10088 169.2
[M+Na]+ 332.08282 181.8
[M+NH4]+ 327.12742 177.8
[M+K]+ 348.05676 173.8
[M-H]- 308.08632 174.5
[M+Na-2H]- 330.06827 178.0
[M]+ 309.09305 172.9
[M]- 309.09415 172.9
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.