CID 3076426

131028-00-7

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]+ 316.201946 178.5
[M+Na]+ 338.183888 183.3
[M-H]- 314.187394 183.3
[M+NH4]+ 333.228493 190.3
[M+K]+ 354.157828 178.9
[M+H-H2O]+ 298.191930 168.1
[M+HCOO]- 360.192871 192.2
[M+CH3COO]- 374.208521 207.0
[M+Na-2H]- 336.169336 174.8
[M]+ 315.19412142 173.8
[M]- 315.19521858 173.8
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.