CID 135642140

315201-01-5

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]+ 417.050826 189.0
[M+Na]+ 439.032768 196.7
[M-H]- 415.036274 195.0
[M+NH4]+ 434.077373 198.6
[M+K]+ 455.006708 187.1
[M+H-H2O]+ 399.040810 181.0
[M+HCOO]- 461.041751 197.6
[M+CH3COO]- 475.057401 197.1
[M+Na-2H]- 437.018216 190.1
[M]+ 416.04300142 191.4
[M]- 416.04409858 191.4
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.