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]+ 344.11604 176.4
[M+Na]+ 366.09798 186.7
[M-H]- 342.10148 187.6
[M+NH4]+ 361.14258 190.7
[M+K]+ 382.07192 183.5
[M+H-H2O]+ 326.10602 167.6
[M+HCOO]- 388.10696 192.7
[M+CH3COO]- 402.12261 188.5
[M+Na-2H]- 364.08343 175.8
[M]+ 343.10821 181.7
[M]- 343.10931 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.