CID 135484404

2-(1,3-benzothiazol-2-ylthio)-n'-(4-ho-3,5-dimethoxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C18H17N3O4S2
SMILES
COC1=CC(=CC(=C1O)OC)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C18H17N3O4S2/c1-24-13-7-11(8-14(25-2)17(13)23)9-19-21-16(22)10-26-18-20-12-5-3-4-6-15(12)27-18/h3-9,23H,10H2,1-2H3,(H,21,22)/b19-9+
InChIKey
HNQYMQHLHHWGQF-DJKKODMXSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.06604 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.073316 189.3
[M+Na]+ 426.055258 198.1
[M-H]- 402.058764 195.9
[M+NH4]+ 421.099863 202.1
[M+K]+ 442.029198 192.1
[M+H-H2O]+ 386.063300 181.7
[M+HCOO]- 448.064241 204.5
[M+CH3COO]- 462.079891 222.4
[M+Na-2H]- 424.040706 191.4
[M]+ 403.06549142 198.1
[M]- 403.06658858 198.1
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.