CID 13337387

2-pyrrolidinone, 1-methyl-5-(4-phenyl-1-piperazinyl)-

Structural Information

Molecular Formula
C15H21N3O
SMILES
CN1C(CCC1=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C15H21N3O/c1-16-14(7-8-15(16)19)18-11-9-17(10-12-18)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKey
WREFBHXALDMRJV-UHFFFAOYSA-N
Compound name
1-methyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.16846 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.175736 163.3
[M+Na]+ 282.157678 168.6
[M-H]- 258.161184 168.0
[M+NH4]+ 277.202283 177.2
[M+K]+ 298.131618 164.3
[M+H-H2O]+ 242.165720 152.8
[M+HCOO]- 304.166661 178.6
[M+CH3COO]- 318.182311 173.1
[M+Na-2H]- 280.143126 162.8
[M]+ 259.16791142 157.1
[M]- 259.16900858 157.1
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

patents stripe