CID 135679521

2-(4-bromophenoxy)-n'-(3-ethoxy-4-hydroxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C17H17BrN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C17H17BrN2O4/c1-2-23-16-9-12(3-8-15(16)21)10-19-20-17(22)11-24-14-6-4-13(18)5-7-14/h3-10,21H,2,11H2,1H3,(H,20,22)/b19-10+
InChIKey
FNCUAEIRQYIKAG-VXLYETTFSA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.03717 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04445 180.0
[M+Na]+ 415.02639 188.4
[M-H]- 391.02989 188.6
[M+NH4]+ 410.07099 194.2
[M+K]+ 431.00033 176.8
[M+H-H2O]+ 375.03443 176.3
[M+HCOO]- 437.03537 202.5
[M+CH3COO]- 451.05102 218.7
[M+Na-2H]- 413.01184 184.6
[M]+ 392.03662 201.3
[M]- 392.03772 201.3
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.