CID 516648

Cis-3,5-bis(4-methoxyphenyl)-3-(1h-imidozol-1-ylmethyl)-2-methylisoxazoline

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CN1[C@](C[C@H](O1)C2=CC=C(C=C2)OC)(CN3C=CN=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H25N3O3/c1-24-22(15-25-13-12-23-16-25,18-6-10-20(27-3)11-7-18)14-21(28-24)17-4-8-19(26-2)9-5-17/h4-13,16,21H,14-15H2,1-3H3/t21-,22+/m0/s1
InChIKey
CNYROMOXLMPVQK-FCHUYYIVSA-N
Compound name
(3S,5S)-3-(imidazol-1-ylmethyl)-3,5-bis(4-methoxyphenyl)-2-methyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.1896 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 189.0
[M+Na]+ 402.17882 196.8
[M-H]- 378.18232 199.2
[M+NH4]+ 397.22342 200.6
[M+K]+ 418.15276 193.4
[M+H-H2O]+ 362.18686 178.3
[M+HCOO]- 424.18780 207.8
[M+CH3COO]- 438.20345 199.4
[M+Na-2H]- 400.16427 188.3
[M]+ 379.18905 192.5
[M]- 379.19015 192.5
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.