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]+ 410.28020 206.1
[M+Na]+ 432.26214 209.6
[M-H]- 408.26564 211.8
[M+NH4]+ 427.30674 213.5
[M+K]+ 448.23608 203.9
[M+H-H2O]+ 392.27018 194.2
[M+HCOO]- 454.27112 221.5
[M+CH3COO]- 468.28677 231.4
[M+Na-2H]- 430.24759 203.6
[M]+ 409.27237 205.6
[M]- 409.27347 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.