CID 5711432

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

Structural Information

Molecular Formula
C19H19N3O2S2
SMILES
CCCOC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C19H19N3O2S2/c1-2-11-24-15-9-7-14(8-10-15)12-20-22-18(23)13-25-19-21-16-5-3-4-6-17(16)26-19/h3-10,12H,2,11,13H2,1H3,(H,22,23)/b20-12+
InChIKey
QAPSPBLRBXTEPT-UDWIEESQSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.09186 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.09914 187.2
[M+Na]+ 408.08108 195.4
[M-H]- 384.08458 194.5
[M+NH4]+ 403.12568 201.4
[M+K]+ 424.05502 188.7
[M+H-H2O]+ 368.08912 179.0
[M+HCOO]- 430.09006 203.4
[M+CH3COO]- 444.10571 220.9
[M+Na-2H]- 406.06653 189.7
[M]+ 385.09131 194.7
[M]- 385.09241 194.7
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.