CID 16205683

91098-76-9

Structural Information

Molecular Formula
C25H36N4O2
SMILES
CCC(=O)N(C1=CC=C(C=C1)OC)C(C)CN2CCN(CC2)CCC3=CC=C(C=C3)N
InChI
InChI=1S/C25H36N4O2/c1-4-25(30)29(23-9-11-24(31-3)12-10-23)20(2)19-28-17-15-27(16-18-28)14-13-21-5-7-22(26)8-6-21/h5-12,20H,4,13-19,26H2,1-3H3
InChIKey
NFOCVGFBKYHKQH-UHFFFAOYSA-N
Compound name
N-[1-[4-[2-(4-aminophenyl)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

424.2838 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.29108 208.2
[M+Na]+ 447.27302 208.7
[M-H]- 423.27652 214.0
[M+NH4]+ 442.31762 214.2
[M+K]+ 463.24696 204.7
[M+H-H2O]+ 407.28106 195.7
[M+HCOO]- 469.28200 223.5
[M+CH3COO]- 483.29765 237.6
[M+Na-2H]- 445.25847 205.1
[M]+ 424.28325 205.9
[M]- 424.28435 205.9
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.