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]+ 385.142576 192.0
[M+Na]+ 407.124518 199.3
[M-H]- 383.128024 198.0
[M+NH4]+ 402.169123 197.8
[M+K]+ 423.098458 192.0
[M+H-H2O]+ 367.132560 179.3
[M+HCOO]- 429.133501 201.0
[M+CH3COO]- 443.149151 199.8
[M+Na-2H]- 405.109966 191.5
[M]+ 384.13475142 190.7
[M]- 384.13584858 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.