CID 45917225

1197824-15-9

Structural Information

Molecular Formula
C25H24N2O4
SMILES
CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C
InChI
InChI=1S/C25H24N2O4/c1-3-24(28)26-17-18-9-11-19(12-10-18)25(29)27-22-7-5-6-8-23(22)31-21-15-13-20(14-16-21)30-4-2/h3,5-16H,1,4,17H2,2H3,(H,26,28)(H,27,29)
InChIKey
DKOWGKKELPCHEG-UHFFFAOYSA-N
Compound name
N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

416.1736 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.18088 201.6
[M+Na]+ 439.16282 205.2
[M-H]- 415.16632 210.5
[M+NH4]+ 434.20742 210.2
[M+K]+ 455.13676 200.5
[M+H-H2O]+ 399.17086 190.5
[M+HCOO]- 461.17180 224.6
[M+CH3COO]- 475.18745 230.9
[M+Na-2H]- 437.14827 202.7
[M]+ 416.17305 203.4
[M]- 416.17415 203.4
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

patents stripe