CID 217135

38160-10-0

Structural Information

Molecular Formula
C16H21N3O3
SMILES
COC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCNCC3
InChI
InChI=1S/C16H21N3O3/c1-22-14-5-3-2-4-13(14)19-11-12(10-15(19)20)16(21)18-8-6-17-7-9-18/h2-5,12,17H,6-11H2,1H3
InChIKey
SHCJZCVGJSVRHE-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.165576 172.6
[M+Na]+ 326.147518 176.7
[M-H]- 302.151024 176.0
[M+NH4]+ 321.192123 183.8
[M+K]+ 342.121458 172.6
[M+H-H2O]+ 286.155560 162.4
[M+HCOO]- 348.156501 185.7
[M+CH3COO]- 362.172151 199.6
[M+Na-2H]- 324.132966 170.4
[M]+ 303.15775142 166.4
[M]- 303.15884858 166.4
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.