CID 3051143

67293-24-7

Structural Information

Molecular Formula
C23H32N2O2
SMILES
CCN(CCCCOC(=O)C1=CC=C(C=C1)N(C)C)CCC2=CC=CC=C2
InChI
InChI=1S/C23H32N2O2/c1-4-25(18-16-20-10-6-5-7-11-20)17-8-9-19-27-23(26)21-12-14-22(15-13-21)24(2)3/h5-7,10-15H,4,8-9,16-19H2,1-3H3
InChIKey
WWTVEZKDCGYLAC-UHFFFAOYSA-N
Compound name
4-[ethyl(2-phenylethyl)amino]butyl 4-(dimethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24637 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.253646 195.6
[M+Na]+ 391.235588 197.5
[M-H]- 367.239094 203.3
[M+NH4]+ 386.280193 208.0
[M+K]+ 407.209528 195.4
[M+H-H2O]+ 351.243630 185.2
[M+HCOO]- 413.244571 219.4
[M+CH3COO]- 427.260221 230.0
[M+Na-2H]- 389.221036 196.0
[M]+ 368.24582142 200.6
[M]- 368.24691858 200.6
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.