CID 5842256

3-(3-phenoxyphenyl)-n-(4-phenoxyphenyl)acrylamide

Structural Information

Molecular Formula
C27H21NO3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C27H21NO3/c29-27(28-22-15-17-25(18-16-22)30-23-9-3-1-4-10-23)19-14-21-8-7-13-26(20-21)31-24-11-5-2-6-12-24/h1-20H,(H,28,29)/b19-14+
InChIKey
LHLQKDZFTSMJAD-XMHGGMMESA-N
Compound name
(E)-3-(3-phenoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.15213 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.159406 200.0
[M+Na]+ 430.141348 204.2
[M-H]- 406.144854 211.5
[M+NH4]+ 425.185953 208.5
[M+K]+ 446.115288 197.6
[M+H-H2O]+ 390.149390 187.9
[M+HCOO]- 452.150331 222.9
[M+CH3COO]- 466.165981 208.6
[M+Na-2H]- 428.126796 203.6
[M]+ 407.15158142 199.6
[M]- 407.15267858 199.6
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.