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 202.0
[M+Na]+ 422.23019 204.5
[M-H]- 398.23369 208.5
[M+NH4]+ 417.27479 212.8
[M+K]+ 438.20413 202.7
[M+H-H2O]+ 382.23823 191.8
[M+HCOO]- 444.23917 223.3
[M+CH3COO]- 458.25482 230.6
[M+Na-2H]- 420.21564 200.4
[M]+ 399.24042 209.4
[M]- 399.24152 209.4
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.