CID 9668599

2-(4-bromophenoxy)-n'-(4-methoxybenzylidene)propanohydrazide

Structural Information

Molecular Formula
C17H17BrN2O3
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C17H17BrN2O3/c1-12(23-16-9-5-14(18)6-10-16)17(21)20-19-11-13-3-7-15(22-2)8-4-13/h3-12H,1-2H3,(H,20,21)/b19-11+
InChIKey
XWOYJSJGZWLGDW-YBFXNURJSA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.04224 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.04952 178.4
[M+Na]+ 399.03146 186.4
[M-H]- 375.03496 188.1
[M+NH4]+ 394.07606 193.7
[M+K]+ 415.00540 175.5
[M+H-H2O]+ 359.03950 174.8
[M+HCOO]- 421.04044 201.2
[M+CH3COO]- 435.05609 218.6
[M+Na-2H]- 397.01691 182.8
[M]+ 376.04169 199.2
[M]- 376.04279 199.2
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.