CID 3051146

Brn 2777613

Structural Information

Molecular Formula
C24H33NO4
SMILES
CCN(CCCCOC(=O)C1=CC=C(C=C1)OC)C(C)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C24H33NO4/c1-5-25(19(2)18-20-8-12-22(27-3)13-9-20)16-6-7-17-29-24(26)21-10-14-23(28-4)15-11-21/h8-15,19H,5-7,16-18H2,1-4H3
InChIKey
MJIZQYVFPYKAFL-UHFFFAOYSA-N
Compound name
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.24097 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.24825 200.3
[M+Na]+ 422.23019 211.2
[M+NH4]+ 417.27479 206.0
[M+K]+ 438.20413 204.1
[M-H]- 398.23369 203.9
[M+Na-2H]- 420.21564 206.2
[M]+ 399.24042 202.7
[M]- 399.24152 202.7
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.