CID 3088694

118989-86-9

Structural Information

Molecular Formula
C20H25N3O
SMILES
CC1CN(CCN1C2=CC=CC=C2CC3=CC=CC=C3)CC(=O)N
InChI
InChI=1S/C20H25N3O/c1-16-14-22(15-20(21)24)11-12-23(16)19-10-6-5-9-18(19)13-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H2,21,24)
InChIKey
QJONENQDMTXMOU-UHFFFAOYSA-N
Compound name
2-[4-(2-benzylphenyl)-3-methylpiperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.207046 180.7
[M+Na]+ 346.188988 184.7
[M-H]- 322.192494 186.1
[M+NH4]+ 341.233593 190.9
[M+K]+ 362.162928 178.9
[M+H-H2O]+ 306.197030 169.6
[M+HCOO]- 368.197971 197.1
[M+CH3COO]- 382.213621 212.1
[M+Na-2H]- 344.174436 181.2
[M]+ 323.19922142 175.4
[M]- 323.20031858 175.4
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.