CID 9625751

2-(4-bromophenoxy)-n'-(1-methyl-3-phenyl-2-propenylidene)acetohydrazide

Structural Information

Molecular Formula
C18H17BrN2O2
SMILES
C/C(=N\NC(=O)COC1=CC=C(C=C1)Br)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H17BrN2O2/c1-14(7-8-15-5-3-2-4-6-15)20-21-18(22)13-23-17-11-9-16(19)10-12-17/h2-12H,13H2,1H3,(H,21,22)/b8-7+,20-14+
InChIKey
IMZAMHWOOXJFFU-BSNOEWQHSA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.04733 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.054606 179.5
[M+Na]+ 395.036548 186.8
[M-H]- 371.040054 188.8
[M+NH4]+ 390.081153 194.8
[M+K]+ 411.010488 174.5
[M+H-H2O]+ 355.044590 176.0
[M+HCOO]- 417.045531 202.1
[M+CH3COO]- 431.061181 216.9
[M+Na-2H]- 393.021996 184.1
[M]+ 372.04678142 198.3
[M]- 372.04787858 198.3
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.