CID 6482640

(3s,5s)-3-imidazol-1-yl-3-(3-methoxyphenyl)-5-[(4-methoxyphenyl)sulfanylmethyl]-2-methyl-isoxazolidine

Structural Information

Molecular Formula
C22H25N3O3S
SMILES
CN1[C@@](C[C@H](O1)CSC2=CC=C(C=C2)OC)(C3=CC(=CC=C3)OC)N4C=CN=C4
InChI
InChI=1S/C22H25N3O3S/c1-24-22(25-12-11-23-16-25,17-5-4-6-19(13-17)27-3)14-20(28-24)15-29-21-9-7-18(26-2)8-10-21/h4-13,16,20H,14-15H2,1-3H3/t20-,22+/m0/s1
InChIKey
XZZDOCFEOJAWGZ-RBBKRZOGSA-N
Compound name
(3S,5S)-3-imidazol-1-yl-3-(3-methoxyphenyl)-5-[(4-methoxyphenyl)sulfanylmethyl]-2-methyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16165 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16893 195.6
[M+Na]+ 434.15087 204.4
[M-H]- 410.15437 206.2
[M+NH4]+ 429.19547 207.0
[M+K]+ 450.12481 200.8
[M+H-H2O]+ 394.15891 186.5
[M+HCOO]- 456.15985 210.3
[M+CH3COO]- 470.17550 205.8
[M+Na-2H]- 432.13632 192.9
[M]+ 411.16110 201.8
[M]- 411.16220 201.8
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.