CID 3007678

107679-95-8

Structural Information

Molecular Formula
C19H14Cl2N2O3
SMILES
C1=CC=C(C=C1)[C@@H]2[C@@](OC(=O)O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H14Cl2N2O3/c20-14-6-7-15(16(21)10-14)19(11-23-9-8-22-12-23)17(25-18(24)26-19)13-4-2-1-3-5-13/h1-10,12,17H,11H2/t17-,19-/m1/s1
InChIKey
SXTPMYLGLDFCFW-IEBWSBKVSA-N
Compound name
(4S,5R)-4-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-5-phenyl-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.03815 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.04543 188.4
[M+Na]+ 411.02737 198.9
[M-H]- 387.03087 199.6
[M+NH4]+ 406.07197 200.8
[M+K]+ 427.00131 194.2
[M+H-H2O]+ 371.03541 179.4
[M+HCOO]- 433.03635 198.5
[M+CH3COO]- 447.05200 199.3
[M+Na-2H]- 409.01282 187.9
[M]+ 388.03760 193.6
[M]- 388.03870 193.6
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.