CID 3062602

98519-26-7

Structural Information

Molecular Formula
C15H13Cl2N3O3
SMILES
C[C@H]1CO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl
InChI
InChI=1S/C15H13Cl2N3O3/c1-9-5-21-15(23-9,6-20-8-18-7-19-20)13-3-10-2-11(16)4-12(17)14(10)22-13/h2-4,7-9H,5-6H2,1H3/t9-,15+/m0/s1
InChIKey
WWNAUNMOERXNGG-BJOHPYRUSA-N
Compound name
1-[[(2R,4S)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0334 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.04068 170.1
[M+Na]+ 376.02262 185.7
[M+NH4]+ 371.06722 179.2
[M+K]+ 391.99656 183.1
[M-H]- 352.02612 177.1
[M+Na-2H]- 374.00807 176.8
[M]+ 353.03285 175.2
[M]- 353.03395 175.2
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.