CID 6864394

2-(1,3-benzothiazol-2-ylthio)-n'-(2,4,6-trimethoxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C19H19N3O4S2
SMILES
COC1=CC(=C(C(=C1)OC)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2)OC
InChI
InChI=1S/C19H19N3O4S2/c1-24-12-8-15(25-2)13(16(9-12)26-3)10-20-22-18(23)11-27-19-21-14-6-4-5-7-17(14)28-19/h4-10H,11H2,1-3H3,(H,22,23)/b20-10+
InChIKey
UWFGGHVREILHLH-KEBDBYFISA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.0817 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.088976 194.5
[M+Na]+ 440.070918 203.3
[M-H]- 416.074424 202.3
[M+NH4]+ 435.115523 207.5
[M+K]+ 456.044858 197.9
[M+H-H2O]+ 400.078960 186.3
[M+HCOO]- 462.079901 210.8
[M+CH3COO]- 476.095551 227.5
[M+Na-2H]- 438.056366 196.4
[M]+ 417.08115142 205.4
[M]- 417.08224858 205.4
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.