CID 9624804

4-(benzyloxy)-n'-(1-(3-(1h-tetraazol-1-yl)phenyl)ethylidene)benzohydrazide

Structural Information

Molecular Formula
C23H20N6O2
SMILES
C/C(=N\NC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)/C3=CC(=CC=C3)N4C=NN=N4
InChI
InChI=1S/C23H20N6O2/c1-17(20-8-5-9-21(14-20)29-16-24-27-28-29)25-26-23(30)19-10-12-22(13-11-19)31-15-18-6-3-2-4-7-18/h2-14,16H,15H2,1H3,(H,26,30)/b25-17+
InChIKey
JYVSXUJTKHBNOM-KOEQRZSOSA-N
Compound name
4-phenylmethoxy-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.16476 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17204 196.1
[M+Na]+ 435.15398 201.0
[M-H]- 411.15748 204.9
[M+NH4]+ 430.19858 201.3
[M+K]+ 451.12792 195.0
[M+H-H2O]+ 395.16202 182.1
[M+HCOO]- 457.16296 217.3
[M+CH3COO]- 471.17861 204.1
[M+Na-2H]- 433.13943 200.1
[M]+ 412.16421 196.7
[M]- 412.16531 196.7
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.