CID 169403

Einecs 250-917-7

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 207.3
[M+Na]+ 455.19412 209.3
[M-H]- 431.19762 216.9
[M+NH4]+ 450.23872 215.6
[M+K]+ 471.16806 206.3
[M+H-H2O]+ 415.20216 195.6
[M+HCOO]- 477.20310 230.2
[M+CH3COO]- 491.21875 236.3
[M+Na-2H]- 453.17957 207.8
[M]+ 432.20435 210.9
[M]- 432.20545 210.9
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