CID 3078508

4-phenyl-n-(2,4,6-trimethylphenyl)-1-piperazineacetamide dihydrochloride

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC1=CC(=C(C(=C1)C)N2CCN(C(C2)C3=CC=CC=C3)CC(=O)N)C
InChI
InChI=1S/C21H27N3O/c1-15-11-16(2)21(17(3)12-15)24-10-9-23(14-20(22)25)19(13-24)18-7-5-4-6-8-18/h4-8,11-12,19H,9-10,13-14H2,1-3H3,(H2,22,25)
InChIKey
GDLBWNCMOFGZBB-UHFFFAOYSA-N
Compound name
2-[2-phenyl-4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 185.7
[M+Na]+ 360.20464 199.5
[M+NH4]+ 355.24924 192.9
[M+K]+ 376.17858 191.6
[M-H]- 336.20814 191.7
[M+Na-2H]- 358.19009 193.3
[M]+ 337.21487 189.3
[M]- 337.21597 189.3
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.