CID 3078388

2(3h)-oxazolone, 4-(4-chlorophenyl)-5-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H21ClN4O2
SMILES
C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=C(C=C3)Cl)C4=CC=CC=N4
InChI
InChI=1S/C20H21ClN4O2/c21-16-6-4-15(5-7-16)19-17(27-20(26)23-19)8-10-24-11-13-25(14-12-24)18-3-1-2-9-22-18/h1-7,9H,8,10-14H2,(H,23,26)
InChIKey
HTYDYHZGNAVKBG-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.1353 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14258 192.0
[M+Na]+ 407.12452 199.3
[M-H]- 383.12802 198.0
[M+NH4]+ 402.16912 197.8
[M+K]+ 423.09846 192.0
[M+H-H2O]+ 367.13256 179.3
[M+HCOO]- 429.13350 201.0
[M+CH3COO]- 443.14915 199.8
[M+Na-2H]- 405.10997 191.5
[M]+ 384.13475 190.7
[M]- 384.13585 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.