CID 6481906

(5s)-5-(4-chlorophenyl)-3-(2-furyl)-3-(imidazol-1-ylmethyl)-2-methyl-isoxazolidine

Structural Information

Molecular Formula
C18H18ClN3O2
SMILES
CN1C(C[C@H](O1)C2=CC=C(C=C2)Cl)(CN3C=CN=C3)C4=CC=CO4
InChI
InChI=1S/C18H18ClN3O2/c1-21-18(17-3-2-10-23-17,12-22-9-8-20-13-22)11-16(24-21)14-4-6-15(19)7-5-14/h2-10,13,16H,11-12H2,1H3/t16-,18?/m0/s1
InChIKey
DXYUBCCTYQWPRC-ATNAJCNCSA-N
Compound name
(5S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.10876 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.116036 176.4
[M+Na]+ 366.097978 186.7
[M-H]- 342.101484 187.6
[M+NH4]+ 361.142583 190.7
[M+K]+ 382.071918 183.5
[M+H-H2O]+ 326.106020 167.6
[M+HCOO]- 388.106961 192.7
[M+CH3COO]- 402.122611 188.5
[M+Na-2H]- 364.083426 175.8
[M]+ 343.10821142 181.7
[M]- 343.10930858 181.7
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.