CID 5279475

Chembl195149

Structural Information

Molecular Formula
C23H19BrN2O4
SMILES
CONC(=O)/C(=C/C1=CC=C(C=C1)OC2=CC=CC=C2Br)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H19BrN2O4/c1-29-26-23(28)20(25-22(27)17-7-3-2-4-8-17)15-16-11-13-18(14-12-16)30-21-10-6-5-9-19(21)24/h2-15H,1H3,(H,25,27)(H,26,28)/b20-15-
InChIKey
XEDDBFHCVCMOMM-HKWRFOASSA-N
Compound name
N-[(Z)-1-[4-(2-bromophenoxy)phenyl]-3-(methoxyamino)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

466.05283 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.06011 201.7
[M+Na]+ 489.04205 207.0
[M-H]- 465.04555 212.2
[M+NH4]+ 484.08665 211.7
[M+K]+ 505.01599 195.4
[M+H-H2O]+ 449.05009 196.9
[M+HCOO]- 511.05103 221.5
[M+CH3COO]- 525.06668 230.9
[M+Na-2H]- 487.02750 204.0
[M]+ 466.05228 219.9
[M]- 466.05338 219.9
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

patents stripe