CID 117071372

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-n'-{1-[3-(1h-tetraazol-1-yl)phenyl]ethylidene}acetohydrazide

Structural Information

Molecular Formula
C20H19N7O2S2
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N/N=C(\C)/C3=CC(=CC=C3)N4C=NN=N4
InChI
InChI=1S/C20H19N7O2S2/c1-3-29-16-7-8-17-18(10-16)31-20(22-17)30-11-19(28)24-23-13(2)14-5-4-6-15(9-14)27-12-21-25-26-27/h4-10,12H,3,11H2,1-2H3,(H,24,28)/b23-13+
InChIKey
YPHVKPRIZOYEAX-YDZHTSKRSA-N
Compound name
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.10416 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.11144 197.0
[M+Na]+ 476.09338 208.9
[M+NH4]+ 471.13798 202.4
[M+K]+ 492.06732 202.7
[M-H]- 452.09688 201.1
[M+Na-2H]- 474.07883 204.4
[M]+ 453.10361 200.5
[M]- 453.10471 200.5
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.