CID 9652347

4-((4-bromophenoxy)me)-n'-(1-(3-(1h-tetraazol-1-yl)ph)ethylidene)benzohydrazide

Structural Information

Molecular Formula
C23H19BrN6O2
SMILES
C/C(=N\NC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Br)/C3=CC(=CC=C3)N4C=NN=N4
InChI
InChI=1S/C23H19BrN6O2/c1-16(19-3-2-4-21(13-19)30-15-25-28-29-30)26-27-23(31)18-7-5-17(6-8-18)14-32-22-11-9-20(24)10-12-22/h2-13,15H,14H2,1H3,(H,27,31)/b26-16+
InChIKey
KBDVKUJQZRJMCM-WGOQTCKBSA-N
Compound name
4-[(4-bromophenoxy)methyl]-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.0753 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.08258 207.7
[M+Na]+ 513.06452 212.1
[M+NH4]+ 508.10912 209.3
[M+K]+ 529.03846 212.2
[M-H]- 489.06802 211.8
[M+Na-2H]- 511.04997 214.3
[M]+ 490.07475 208.2
[M]- 490.07585 208.2
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.