CID 3040757

Brn 1170810

Structural Information

Molecular Formula
C21H22ClN3O2
SMILES
C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H22ClN3O2/c22-17-8-6-16(7-9-17)20-19(27-21(26)23-20)10-11-24-12-14-25(15-13-24)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,23,26)
InChIKey
GHLFWWUERYGWEV-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.14005 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14733 192.4
[M+Na]+ 406.12927 199.4
[M-H]- 382.13277 199.7
[M+NH4]+ 401.17387 199.7
[M+K]+ 422.10321 192.1
[M+H-H2O]+ 366.13731 180.5
[M+HCOO]- 428.13825 202.5
[M+CH3COO]- 442.15390 200.6
[M+Na-2H]- 404.11472 191.6
[M]+ 383.13950 191.1
[M]- 383.14060 191.1
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.