CID 24843218

91098-62-3

Structural Information

Molecular Formula
C28H41N3O2
SMILES
CCCCOC1=CC=C(C=C1)N(C(C)CN2CCN(CC2)CCC3=CC=CC=C3)C(=O)CC
InChI
InChI=1S/C28H41N3O2/c1-4-6-22-33-27-14-12-26(13-15-27)31(28(32)5-2)24(3)23-30-20-18-29(19-21-30)17-16-25-10-8-7-9-11-25/h7-15,24H,4-6,16-23H2,1-3H3
InChIKey
GJLRKPXBXIZOAY-UHFFFAOYSA-N
Compound name
N-(4-butoxyphenyl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.3199 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.32718 217.3
[M+Na]+ 474.30912 216.3
[M-H]- 450.31262 222.6
[M+NH4]+ 469.35372 222.4
[M+K]+ 490.28306 211.8
[M+H-H2O]+ 434.31716 204.1
[M+HCOO]- 496.31810 231.1
[M+CH3COO]- 510.33375 240.3
[M+Na-2H]- 472.29457 213.6
[M]+ 451.31935 217.1
[M]- 451.32045 217.1
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.