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]+ 324.20705 180.7
[M+Na]+ 346.18899 184.7
[M-H]- 322.19249 186.1
[M+NH4]+ 341.23359 190.9
[M+K]+ 362.16293 178.9
[M+H-H2O]+ 306.19703 169.6
[M+HCOO]- 368.19797 197.1
[M+CH3COO]- 382.21362 212.1
[M+Na-2H]- 344.17444 181.2
[M]+ 323.19922 175.4
[M]- 323.20032 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.