CID 16205679

1-(2-methyl-2-(n-propionyl-p-ethoxyphenylamino)ethyl)-4-phenethylpiperazine oxalate hydrate

Structural Information

Molecular Formula
C26H37N3O2
SMILES
CCC(=O)N(C1=CC=C(C=C1)OCC)C(C)CN2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C26H37N3O2/c1-4-26(30)29(24-11-13-25(14-12-24)31-5-2)22(3)21-28-19-17-27(18-20-28)16-15-23-9-7-6-8-10-23/h6-14,22H,4-5,15-21H2,1-3H3
InChIKey
ILBGTENKYXIMRH-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-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

423.28857 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.29585 208.7
[M+Na]+ 446.27779 208.6
[M-H]- 422.28129 214.4
[M+NH4]+ 441.32239 215.0
[M+K]+ 462.25173 204.5
[M+H-H2O]+ 406.28583 195.9
[M+HCOO]- 468.28677 223.2
[M+CH3COO]- 482.30242 234.6
[M+Na-2H]- 444.26324 206.0
[M]+ 423.28802 207.8
[M]- 423.28912 207.8
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.