CID 24843209

91098-80-5

Structural Information

Molecular Formula
C27H38N4O3
SMILES
CCC(=O)N(C1=CC=C(C=C1)OC)C(C)CN2CCN(CC2)CCC3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C27H38N4O3/c1-5-27(33)31(25-10-12-26(34-4)13-11-25)21(2)20-30-18-16-29(17-19-30)15-14-23-6-8-24(9-7-23)28-22(3)32/h6-13,21H,5,14-20H2,1-4H3,(H,28,32)
InChIKey
WIOHPLJBENHZBR-UHFFFAOYSA-N
Compound name
N-[1-[4-[2-(4-acetamidophenyl)ethyl]piperazin-1-yl]propan-2-yl]-N-(4-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2944 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.30168 217.6
[M+Na]+ 489.28362 217.1
[M-H]- 465.28712 223.7
[M+NH4]+ 484.32822 222.0
[M+K]+ 505.25756 213.8
[M+H-H2O]+ 449.29166 205.0
[M+HCOO]- 511.29260 232.3
[M+CH3COO]- 525.30825 245.6
[M+Na-2H]- 487.26907 213.8
[M]+ 466.29385 217.1
[M]- 466.29495 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.