CID 6070002

3-(4-bromophenyl)-n-(3-methoxyphenyl)-2-propenamide

Structural Information

Molecular Formula
C16H14BrNO2
SMILES
COC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)Br
InChI
InChI=1S/C16H14BrNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+
InChIKey
ASMIHABOOYAZND-JXMROGBWSA-N
Compound name
(E)-3-(4-bromophenyl)-N-(3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.02078 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02806 168.0
[M+Na]+ 354.01000 177.6
[M-H]- 330.01350 176.8
[M+NH4]+ 349.05460 185.1
[M+K]+ 369.98394 165.2
[M+H-H2O]+ 314.01804 166.0
[M+HCOO]- 376.01898 189.8
[M+CH3COO]- 390.03463 206.0
[M+Na-2H]- 351.99545 173.4
[M]+ 331.02023 186.9
[M]- 331.02133 186.9
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.