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 186.5
[M+Na]+ 470.99422 197.2
[M-H]- 446.99772 195.2
[M+NH4]+ 466.03882 196.6
[M+K]+ 486.96816 183.9
[M+H-H2O]+ 431.00226 181.4
[M+HCOO]- 493.00320 202.1
[M+CH3COO]- 507.01885 227.1
[M+Na-2H]- 468.97967 191.2
[M]+ 448.00445 208.8
[M]- 448.00555 208.8
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.