CID 169403

32089-69-3

Structural Information

Molecular Formula
C26H28N2O4
SMILES
CCN(CC(COC1=CC=CC=C1)OC(=O)NC2=CC=CC=C2)C3=CC(=C(C=C3)C=O)C
InChI
InChI=1S/C26H28N2O4/c1-3-28(23-15-14-21(18-29)20(2)16-23)17-25(19-31-24-12-8-5-9-13-24)32-26(30)27-22-10-6-4-7-11-22/h4-16,18,25H,3,17,19H2,1-2H3,(H,27,30)
InChIKey
LFDILVWKIBPEJN-UHFFFAOYSA-N
Compound name
[1-(N-ethyl-4-formyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

432.2049 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21218 207.6
[M+Na]+ 455.19412 219.8
[M+NH4]+ 450.23872 213.4
[M+K]+ 471.16806 212.0
[M-H]- 431.19762 214.1
[M+Na-2H]- 453.17957 216.7
[M]+ 432.20435 211.1
[M]- 432.20545 211.1
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