CID 6868981

N'-(3-(benzyloxy)benzylidene)-4-bromobenzohydrazide

Structural Information

Molecular Formula
C21H17BrN2O2
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C21H17BrN2O2/c22-19-11-9-18(10-12-19)21(25)24-23-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,24,25)/b23-14+
InChIKey
RVULRFTVEHUYDI-OEAKJJBVSA-N
Compound name
4-bromo-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

408.04733 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.05461 188.3
[M+Na]+ 431.03655 196.0
[M-H]- 407.04005 200.5
[M+NH4]+ 426.08115 201.9
[M+K]+ 447.01049 183.4
[M+H-H2O]+ 391.04459 184.0
[M+HCOO]- 453.04553 211.7
[M+CH3COO]- 467.06118 223.1
[M+Na-2H]- 429.02200 194.1
[M]+ 408.04678 207.1
[M]- 408.04788 207.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.