CID 5279448

Schembl5894866

Structural Information

Molecular Formula
C24H20BrNO5
SMILES
CCOC1=CC=CC=C1C(=O)N/C(=C\C2=CC=C(C=C2)OC3=CC=CC=C3Br)/C(=O)O
InChI
InChI=1S/C24H20BrNO5/c1-2-30-21-9-5-3-7-18(21)23(27)26-20(24(28)29)15-16-11-13-17(14-12-16)31-22-10-6-4-8-19(22)25/h3-15H,2H2,1H3,(H,26,27)(H,28,29)/b20-15-
InChIKey
MVEDXTHVFWWKAF-HKWRFOASSA-N
Compound name
(Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-ethoxybenzoyl)amino]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

481.0525 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.05978 205.6
[M+Na]+ 504.04172 211.4
[M-H]- 480.04522 215.1
[M+NH4]+ 499.08632 214.9
[M+K]+ 520.01566 199.8
[M+H-H2O]+ 464.04976 201.3
[M+HCOO]- 526.05070 222.8
[M+CH3COO]- 540.06635 230.5
[M+Na-2H]- 502.02717 205.9
[M]+ 481.05195 224.9
[M]- 481.05305 224.9
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