CID 3076426

Brn 4207790

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)CN3CCCC3=O
InChI
InChI=1S/C18H25N3O2/c1-14-5-3-6-15(2)18(14)20-11-9-19(10-12-20)17(23)13-21-8-4-7-16(21)22/h3,5-6H,4,7-13H2,1-2H3
InChIKey
CEKSOYRGQQWHCL-UHFFFAOYSA-N
Compound name
1-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.19467 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 178.5
[M+Na]+ 338.18389 189.6
[M+NH4]+ 333.22849 184.8
[M+K]+ 354.15783 185.1
[M-H]- 314.18739 181.4
[M+Na-2H]- 336.16934 183.2
[M]+ 315.19412 180.6
[M]- 315.19522 180.6
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.