CID 9636469

N'-(5-bromo-2-methoxybenzylidene)-4-((4-methylbenzyl)oxy)benzohydrazide

Structural Information

Molecular Formula
C23H21BrN2O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)OC
InChI
InChI=1S/C23H21BrN2O3/c1-16-3-5-17(6-4-16)15-29-21-10-7-18(8-11-21)23(27)26-25-14-19-13-20(24)9-12-22(19)28-2/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKey
QOXSYSGTMYSBIJ-AFUMVMLFSA-N
Compound name
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.07355 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.08083 200.2
[M+Na]+ 475.06277 208.3
[M-H]- 451.06627 212.7
[M+NH4]+ 470.10737 212.4
[M+K]+ 491.03671 196.2
[M+H-H2O]+ 435.07081 195.3
[M+HCOO]- 497.07175 223.0
[M+CH3COO]- 511.08740 232.9
[M+Na-2H]- 473.04822 203.5
[M]+ 452.07300 221.6
[M]- 452.07410 221.6
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.