CID 217805

39630-18-7

Structural Information

Molecular Formula
C17H22N2O3
SMILES
COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCCCC3
InChI
InChI=1S/C17H22N2O3/c1-22-15-7-5-14(6-8-15)19-12-13(11-16(19)20)17(21)18-9-3-2-4-10-18/h5-8,13H,2-4,9-12H2,1H3
InChIKey
TWAKYUCUSBHUJX-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.170336 172.2
[M+Na]+ 325.152278 176.3
[M-H]- 301.155784 178.2
[M+NH4]+ 320.196883 185.5
[M+K]+ 341.126218 173.0
[M+H-H2O]+ 285.160320 162.5
[M+HCOO]- 347.161261 187.7
[M+CH3COO]- 361.176911 202.1
[M+Na-2H]- 323.137726 170.0
[M]+ 302.16251142 167.6
[M]- 302.16360858 167.6
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.