CID 9636127

4-bromo-n'-(4-((4-methylbenzyl)oxy)benzylidene)benzohydrazide

Structural Information

Molecular Formula
C22H19BrN2O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C22H19BrN2O2/c1-16-2-4-18(5-3-16)15-27-21-12-6-17(7-13-21)14-24-25-22(26)19-8-10-20(23)11-9-19/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKey
GQOCYZKFXQMKON-ZVHZXABRSA-N
Compound name
4-bromo-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.063 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.07028 193.1
[M+Na]+ 445.05222 201.1
[M-H]- 421.05572 205.4
[M+NH4]+ 440.09682 206.4
[M+K]+ 461.02616 188.4
[M+H-H2O]+ 405.06026 188.6
[M+HCOO]- 467.06120 216.1
[M+CH3COO]- 481.07685 227.0
[M+Na-2H]- 443.03767 197.6
[M]+ 422.06245 212.5
[M]- 422.06355 212.5
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.