CID 3021871

91703-24-1

Structural Information

Molecular Formula
C16H24N4O
SMILES
CN(C)C1=CC=C(C=C1)N2CCN(CC2)C3CCC(=O)N3
InChI
InChI=1S/C16H24N4O/c1-18(2)13-3-5-14(6-4-13)19-9-11-20(12-10-19)15-7-8-16(21)17-15/h3-6,15H,7-12H2,1-2H3,(H,17,21)
InChIKey
XKBGECROZFIIAX-UHFFFAOYSA-N
Compound name
5-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.195 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20228 170.6
[M+Na]+ 311.18422 174.2
[M-H]- 287.18772 175.3
[M+NH4]+ 306.22882 182.9
[M+K]+ 327.15816 170.2
[M+H-H2O]+ 271.19226 159.9
[M+HCOO]- 333.19320 185.6
[M+CH3COO]- 347.20885 179.4
[M+Na-2H]- 309.16967 169.4
[M]+ 288.19445 163.6
[M]- 288.19555 163.6
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

patents stripe