CID 9646575

2-(2-br-4-cl-phenoxy)-n'-(1-(3-(1h-tetraazol-1-yl)ph)ethylidene)acetohydrazide

Structural Information

Molecular Formula
C17H14BrClN6O2
SMILES
C/C(=N\NC(=O)COC1=C(C=C(C=C1)Cl)Br)/C2=CC(=CC=C2)N3C=NN=N3
InChI
InChI=1S/C17H14BrClN6O2/c1-11(12-3-2-4-14(7-12)25-10-20-23-24-25)21-22-17(26)9-27-16-6-5-13(19)8-15(16)18/h2-8,10H,9H2,1H3,(H,22,26)/b21-11+
InChIKey
XRXJLTOLYHUVPG-SRZZPIQSSA-N
Compound name
2-(2-bromo-4-chlorophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.005 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.01228 194.8
[M+Na]+ 470.99422 198.6
[M+NH4]+ 466.03882 196.5
[M+K]+ 486.96816 199.3
[M-H]- 446.99772 196.6
[M+Na-2H]- 468.97967 199.3
[M]+ 448.00445 194.7
[M]- 448.00555 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.