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]+ 418.08898 194.5
[M+Na]+ 440.07092 203.3
[M-H]- 416.07442 202.3
[M+NH4]+ 435.11552 207.5
[M+K]+ 456.04486 197.9
[M+H-H2O]+ 400.07896 186.3
[M+HCOO]- 462.07990 210.8
[M+CH3COO]- 476.09555 227.5
[M+Na-2H]- 438.05637 196.4
[M]+ 417.08115 205.4
[M]- 417.08225 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.