CID 217804

1-(4-hydroxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C16H20N2O3
SMILES
C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C16H20N2O3/c19-14-6-4-13(5-7-14)18-11-12(10-15(18)20)16(21)17-8-2-1-3-9-17/h4-7,12,19H,1-3,8-11H2
InChIKey
WQARZQDBCBXXTP-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 168.2
[M+Na]+ 311.136618 172.3
[M-H]- 287.140124 173.0
[M+NH4]+ 306.181223 181.4
[M+K]+ 327.110558 168.4
[M+H-H2O]+ 271.144660 159.0
[M+HCOO]- 333.145601 182.6
[M+CH3COO]- 347.161251 196.8
[M+Na-2H]- 309.122066 166.1
[M]+ 288.14685142 161.5
[M]- 288.14794858 161.5
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.