CID 9637728

2-iodo-n'-(4-((4-methylbenzyl)oxy)benzylidene)benzohydrazide

Structural Information

Molecular Formula
C22H19IN2O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C22H19IN2O2/c1-16-6-8-18(9-7-16)15-27-19-12-10-17(11-13-19)14-24-25-22(26)20-4-2-3-5-21(20)23/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKey
OYSGTVAHEDVSML-ZVHZXABRSA-N
Compound name
2-iodo-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.04913 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.05641 202.1
[M+Na]+ 493.03835 200.4
[M-H]- 469.04185 204.6
[M+NH4]+ 488.08295 209.1
[M+K]+ 509.01229 201.2
[M+H-H2O]+ 453.04639 187.5
[M+HCOO]- 515.04733 222.0
[M+CH3COO]- 529.06298 228.6
[M+Na-2H]- 491.02380 193.3
[M]+ 470.04858 200.2
[M]- 470.04968 200.2
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.