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]+ 369.25365 195.6
[M+Na]+ 391.23559 197.5
[M-H]- 367.23909 203.3
[M+NH4]+ 386.28019 208.0
[M+K]+ 407.20953 195.4
[M+H-H2O]+ 351.24363 185.2
[M+HCOO]- 413.24457 219.4
[M+CH3COO]- 427.26022 230.0
[M+Na-2H]- 389.22104 196.0
[M]+ 368.24582 200.6
[M]- 368.24692 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.