CID 6173432

331461-87-1

Structural Information

Molecular Formula
C18H16BrNO3
SMILES
CCOC1=CC=C(C=C1)C(=O)/C=C/C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C18H16BrNO3/c1-2-23-16-9-3-13(4-10-16)17(21)11-12-18(22)20-15-7-5-14(19)6-8-15/h3-12H,2H2,1H3,(H,20,22)/b12-11+
InChIKey
FJSBCUAMAKWQSK-VAWYXSNFSA-N
Compound name
(E)-N-(4-bromophenyl)-4-(4-ethoxyphenyl)-4-oxobut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.03137 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.03865 175.3
[M+Na]+ 396.02059 178.2
[M+NH4]+ 391.06519 178.3
[M+K]+ 411.99453 177.5
[M-H]- 372.02409 177.0
[M+Na-2H]- 394.00604 179.2
[M]+ 373.03082 174.8
[M]- 373.03192 174.8
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.