CID 6866750

2-(1,3-benzothiazol-2-ylthio)-n'-(3-(2-nitro-ph)-2-propenylidene)acetohydrazide

Structural Information

Molecular Formula
C18H14N4O3S2
SMILES
C1=CC=C(C(=C1)/C=C/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2)[N+](=O)[O-]
InChI
InChI=1S/C18H14N4O3S2/c23-17(12-26-18-20-14-8-2-4-10-16(14)27-18)21-19-11-5-7-13-6-1-3-9-15(13)22(24)25/h1-11H,12H2,(H,21,23)/b7-5+,19-11+
InChIKey
UUMWRNYWBLHSBX-SPJXWURQSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.05072 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.05800 182.4
[M+Na]+ 421.03994 193.9
[M+NH4]+ 416.08454 189.4
[M+K]+ 437.01388 187.0
[M-H]- 397.04344 188.0
[M+Na-2H]- 419.02539 189.6
[M]+ 398.05017 186.2
[M]- 398.05127 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.