CID 24212551

853312-37-5

Structural Information

Molecular Formula
C18H21ClN2O2
SMILES
CN1CCN(CC1)C(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H21ClN2O2/c1-20-10-12-21(13-11-20)18(22)9-7-16-6-8-17(23-16)14-2-4-15(19)5-3-14/h2-6,8H,7,9-13H2,1H3
InChIKey
SRCITRLPGPFUME-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12915 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13643 178.3
[M+Na]+ 355.11837 192.3
[M+NH4]+ 350.16297 186.0
[M+K]+ 371.09231 186.3
[M-H]- 331.12187 184.0
[M+Na-2H]- 353.10382 185.1
[M]+ 332.12860 182.2
[M]- 332.12970 182.2
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.