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]+ 467.301676 217.6
[M+Na]+ 489.283618 217.1
[M-H]- 465.287124 223.7
[M+NH4]+ 484.328223 222.0
[M+K]+ 505.257558 213.8
[M+H-H2O]+ 449.291660 205.0
[M+HCOO]- 511.292601 232.3
[M+CH3COO]- 525.308251 245.6
[M+Na-2H]- 487.269066 213.8
[M]+ 466.29385142 217.1
[M]- 466.29494858 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.