CID 6862772

2-(1,3-benzothiazol-2-ylsulfanyl)-n'-(2,5-dimethoxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C18H17N3O3S2
SMILES
COC1=CC(=C(C=C1)OC)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C18H17N3O3S2/c1-23-13-7-8-15(24-2)12(9-13)10-19-21-17(22)11-25-18-20-14-5-3-4-6-16(14)26-18/h3-10H,11H2,1-2H3,(H,21,22)/b19-10+
InChIKey
ANKJPPJXUIJFIJ-VXLYETTFSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.07114 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.07842 186.9
[M+Na]+ 410.06036 195.9
[M-H]- 386.06386 194.6
[M+NH4]+ 405.10496 201.0
[M+K]+ 426.03430 190.0
[M+H-H2O]+ 370.06840 178.9
[M+HCOO]- 432.06934 203.5
[M+CH3COO]- 446.08499 221.3
[M+Na-2H]- 408.04581 189.5
[M]+ 387.07059 195.8
[M]- 387.07169 195.8
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.