CID 218218

40399-93-7

Structural Information

Molecular Formula
C19H29N3O
SMILES
CC1CN(CCN1CC(=O)N)C2(CCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C19H29N3O/c1-16-14-22(12-11-21(16)15-18(20)23)19(9-5-6-10-19)13-17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-15H2,1H3,(H2,20,23)
InChIKey
RGHVZXKPHKNWHD-UHFFFAOYSA-N
Compound name
2-[4-(1-benzylcyclopentyl)-2-methylpiperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.23105 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.238326 179.0
[M+Na]+ 338.220268 181.4
[M-H]- 314.223774 183.9
[M+NH4]+ 333.264873 193.1
[M+K]+ 354.194208 176.9
[M+H-H2O]+ 298.228310 169.0
[M+HCOO]- 360.229251 193.8
[M+CH3COO]- 374.244901 208.0
[M+Na-2H]- 336.205716 177.1
[M]+ 315.23050142 171.3
[M]- 315.23159858 171.3
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.