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 199.9
[M+Na]+ 476.09338 210.1
[M-H]- 452.09688 207.2
[M+NH4]+ 471.13798 208.2
[M+K]+ 492.06732 203.5
[M+H-H2O]+ 436.10142 191.4
[M+HCOO]- 498.10236 212.8
[M+CH3COO]- 512.11801 208.9
[M+Na-2H]- 474.07883 200.5
[M]+ 453.10361 208.3
[M]- 453.10471 208.3
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.