CID 3057800

4-(4-methyl-1-piperazinylcarbonyl)-1-phenyl-2-pyrrolidinone hydrochloride

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CN1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3O2/c1-17-7-9-18(10-8-17)16(21)13-11-15(20)19(12-13)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKey
ODVQGHCXFBAXOD-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.1634 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 169.7
[M+Na]+ 310.15262 174.4
[M-H]- 286.15612 174.4
[M+NH4]+ 305.19722 182.2
[M+K]+ 326.12656 170.4
[M+H-H2O]+ 270.16066 159.2
[M+HCOO]- 332.16160 184.0
[M+CH3COO]- 346.17725 199.9
[M+Na-2H]- 308.13807 167.7
[M]+ 287.16285 163.8
[M]- 287.16395 163.8
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

patents stripe