CID 6481907

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

Structural Information

Molecular Formula
C18H18N4O4
SMILES
CN1C(C[C@H](O1)C2=CC(=CC=C2)[N+](=O)[O-])(CN3C=CN=C3)C4=CC=CO4
InChI
InChI=1S/C18H18N4O4/c1-20-18(17-6-3-9-25-17,12-21-8-7-19-13-21)11-16(26-20)14-4-2-5-15(10-14)22(23)24/h2-10,13,16H,11-12H2,1H3/t16-,18?/m0/s1
InChIKey
STLDWKLRSTYXMV-ATNAJCNCSA-N
Compound name
(5S)-3-(furan-2-yl)-3-(imidazol-1-ylmethyl)-2-methyl-5-(3-nitrophenyl)-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14008 177.2
[M+Na]+ 377.12202 184.0
[M-H]- 353.12552 189.0
[M+NH4]+ 372.16662 188.9
[M+K]+ 393.09596 178.9
[M+H-H2O]+ 337.13006 172.9
[M+HCOO]- 399.13100 199.0
[M+CH3COO]- 413.14665 204.1
[M+Na-2H]- 375.10747 180.8
[M]+ 354.13225 178.7
[M]- 354.13335 178.7
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.