CID 6875497

N'-[3-(benzyloxy)benzylidene]-2-iodobenzohydrazide

Structural Information

Molecular Formula
C21H17IN2O2
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C21H17IN2O2/c22-20-12-5-4-11-19(20)21(25)24-23-14-17-9-6-10-18(13-17)26-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,24,25)/b23-14+
InChIKey
NAZRSGJPHNRBNK-OEAKJJBVSA-N
Compound name
2-iodo-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.03348 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.04076 197.5
[M+Na]+ 479.02270 195.5
[M-H]- 455.02620 199.9
[M+NH4]+ 474.06730 204.8
[M+K]+ 494.99664 196.3
[M+H-H2O]+ 439.03074 183.0
[M+HCOO]- 501.03168 217.9
[M+CH3COO]- 515.04733 224.7
[M+Na-2H]- 477.00815 190.0
[M]+ 456.03293 194.9
[M]- 456.03403 194.9
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.