CID 55554

Acetamide, n-(3-(4-(2-methylphenyl)-1-piperazinyl)propyl)-2-(2,4,6-trimethylphenoxy)-, hydrochloride, hydrate (1:2:1)

Structural Information

Molecular Formula
C25H35N3O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)COC3=C(C=C(C=C3C)C)C
InChI
InChI=1S/C25H35N3O2/c1-19-16-21(3)25(22(4)17-19)30-18-24(29)26-10-7-11-27-12-14-28(15-13-27)23-9-6-5-8-20(23)2/h5-6,8-9,16-17H,7,10-15,18H2,1-4H3,(H,26,29)
InChIKey
PGWYGLYBSNTTSX-UHFFFAOYSA-N
Compound name
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-2-(2,4,6-trimethylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.27292 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.280196 206.1
[M+Na]+ 432.262138 209.6
[M-H]- 408.265644 211.8
[M+NH4]+ 427.306743 213.5
[M+K]+ 448.236078 203.9
[M+H-H2O]+ 392.270180 194.2
[M+HCOO]- 454.271121 221.5
[M+CH3COO]- 468.286771 231.4
[M+Na-2H]- 430.247586 203.6
[M]+ 409.27237142 205.6
[M]- 409.27346858 205.6
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.