CID 366203

Nsc634530

Structural Information

Molecular Formula
C26H25NO3
SMILES
CCOC(=O)C(C1=CC=CC=C1)N(C2=CC=CC=C2CC=C)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H25NO3/c1-3-13-20-14-11-12-19-23(20)27(25(28)22-17-9-6-10-18-22)24(26(29)30-4-2)21-15-7-5-8-16-21/h3,5-12,14-19,24H,1,4,13H2,2H3
InChIKey
UNBUUDPDIVCZSS-UHFFFAOYSA-N
Compound name
ethyl 2-(N-benzoyl-2-prop-2-enylanilino)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.18344 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19072 199.9
[M+Na]+ 422.17266 202.2
[M-H]- 398.17616 209.4
[M+NH4]+ 417.21726 209.5
[M+K]+ 438.14660 198.2
[M+H-H2O]+ 382.18070 188.9
[M+HCOO]- 444.18164 220.9
[M+CH3COO]- 458.19729 228.0
[M+Na-2H]- 420.15811 199.3
[M]+ 399.18289 201.2
[M]- 399.18399 201.2
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.