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]+ 338.16298 181.3
[M+Na]+ 360.14492 185.4
[M-H]- 336.14842 184.1
[M+NH4]+ 355.18952 192.0
[M+K]+ 376.11886 179.5
[M+H-H2O]+ 320.15296 171.0
[M+HCOO]- 382.15390 188.9
[M+CH3COO]- 396.16955 205.4
[M+Na-2H]- 358.13037 177.9
[M]+ 337.15515 176.8
[M]- 337.15625 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.