CID 135642140

2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-n'-[(e)-(2-hydroxyphenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C18H16N4O2S3
SMILES
C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C3=CC=CC=C3O
InChI
InChI=1S/C18H16N4O2S3/c23-15-9-5-4-8-14(15)10-19-20-16(24)12-26-18-22-21-17(27-18)25-11-13-6-2-1-3-7-13/h1-10,23H,11-12H2,(H,20,24)/b19-10+
InChIKey
YKHOILKMXYNEAT-VXLYETTFSA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.04355 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.05083 184.4
[M+Na]+ 439.03277 194.8
[M+NH4]+ 434.07737 191.4
[M+K]+ 455.00671 184.4
[M-H]- 415.03627 189.8
[M+Na-2H]- 437.01822 192.0
[M]+ 416.04300 188.6
[M]- 416.04410 188.6
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.

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No patent data available for this compound.