CID 4393192

477320-07-3

Structural Information

Molecular Formula
C19H23NO3
SMILES
CCOC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)OCC
InChI
InChI=1S/C19H23NO3/c1-3-22-17-9-5-15(6-10-17)19(21)13-14-20-16-7-11-18(12-8-16)23-4-2/h5-12,20H,3-4,13-14H2,1-2H3
InChIKey
KBIDBOTYUPXZAL-UHFFFAOYSA-N
Compound name
3-(4-ethoxyanilino)-1-(4-ethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 175.4
[M+Na]+ 336.15702 180.5
[M-H]- 312.16052 181.5
[M+NH4]+ 331.20162 189.4
[M+K]+ 352.13096 177.1
[M+H-H2O]+ 296.16506 166.5
[M+HCOO]- 358.16600 198.9
[M+CH3COO]- 372.18165 210.3
[M+Na-2H]- 334.14247 178.5
[M]+ 313.16725 179.2
[M]- 313.16835 179.2
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.