CID 24843245

91098-60-1

Structural Information

Molecular Formula
C27H39N3O2
SMILES
CCCOC1=CC=C(C=C1)N(C(C)CN2CCN(CC2)CCC3=CC=CC=C3)C(=O)CC
InChI
InChI=1S/C27H39N3O2/c1-4-21-32-26-13-11-25(12-14-26)30(27(31)5-2)23(3)22-29-19-17-28(18-20-29)16-15-24-9-7-6-8-10-24/h6-14,23H,4-5,15-22H2,1-3H3
InChIKey
DBRZDMZTWBHYHU-UHFFFAOYSA-N
Compound name
N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-N-(4-propoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.30423 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.31151 212.7
[M+Na]+ 460.29345 223.6
[M+NH4]+ 455.33805 218.4
[M+K]+ 476.26739 215.5
[M-H]- 436.29695 217.9
[M+Na-2H]- 458.27890 219.4
[M]+ 437.30368 215.5
[M]- 437.30478 215.5
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.