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]+ 408.15941 200.0
[M+Na]+ 430.14135 204.2
[M-H]- 406.14485 211.5
[M+NH4]+ 425.18595 208.5
[M+K]+ 446.11529 197.6
[M+H-H2O]+ 390.14939 187.9
[M+HCOO]- 452.15033 222.9
[M+CH3COO]- 466.16598 208.6
[M+Na-2H]- 428.12680 203.6
[M]+ 407.15158 199.6
[M]- 407.15268 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.