CID 9653181

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

Structural Information

Molecular Formula
C23H19IN6O2
SMILES
C/C(=N\NC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)I)/C3=CC(=CC=C3)N4C=NN=N4
InChI
InChI=1S/C23H19IN6O2/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
AOZRJCRCEOHBIN-WGOQTCKBSA-N
Compound name
4-[(4-iodophenoxy)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

538.0614 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.06868 206.9
[M+Na]+ 561.05062 205.5
[M-H]- 537.05412 208.2
[M+NH4]+ 556.09522 207.3
[M+K]+ 577.02456 205.1
[M+H-H2O]+ 521.05866 189.7
[M+HCOO]- 583.05960 222.7
[M+CH3COO]- 597.07525 210.5
[M+Na-2H]- 559.03607 198.7
[M]+ 538.06085 205.1
[M]- 538.06195 205.1
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.