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]+ 404.07332 189.3
[M+Na]+ 426.05526 198.1
[M-H]- 402.05876 195.9
[M+NH4]+ 421.09986 202.1
[M+K]+ 442.02920 192.1
[M+H-H2O]+ 386.06330 181.7
[M+HCOO]- 448.06424 204.5
[M+CH3COO]- 462.07989 222.4
[M+Na-2H]- 424.04071 191.4
[M]+ 403.06549 198.1
[M]- 403.06659 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.