CID 3088579

118517-35-4

Structural Information

Molecular Formula
C17H24ClN3O2
SMILES
C1CC(=O)N(C1)CC(CN2CCN(CC2)C3=CC(=CC=C3)Cl)O
InChI
InChI=1S/C17H24ClN3O2/c18-14-3-1-4-15(11-14)20-9-7-19(8-10-20)12-16(22)13-21-6-2-5-17(21)23/h1,3-4,11,16,22H,2,5-10,12-13H2
InChIKey
QCDSCFYAXGRPJT-UHFFFAOYSA-N
Compound name
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1557 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.162976 181.3
[M+Na]+ 360.144918 185.4
[M-H]- 336.148424 184.1
[M+NH4]+ 355.189523 192.0
[M+K]+ 376.118858 179.5
[M+H-H2O]+ 320.152960 171.0
[M+HCOO]- 382.153901 188.9
[M+CH3COO]- 396.169551 205.4
[M+Na-2H]- 358.130366 177.9
[M]+ 337.15515142 176.8
[M]- 337.15624858 176.8
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

No patent data available for this compound.