CID 3007670

107659-88-1

Structural Information

Molecular Formula
C18H15Cl2N3O2
SMILES
C1O[C@@H]([C@@](O1)(CN2C=NC=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H15Cl2N3O2/c19-14-6-7-15(16(20)8-14)17-18(25-12-24-17,9-23-11-21-10-22-23)13-4-2-1-3-5-13/h1-8,10-11,17H,9,12H2/t17-,18-/m1/s1
InChIKey
RSXFIHZFPZTPPO-QZTJIDSGSA-N
Compound name
1-[[(4S,5R)-5-(2,4-dichlorophenyl)-4-phenyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.05414 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.06142 184.5
[M+Na]+ 398.04336 194.3
[M-H]- 374.04686 193.9
[M+NH4]+ 393.08796 195.8
[M+K]+ 414.01730 189.7
[M+H-H2O]+ 358.05140 173.9
[M+HCOO]- 420.05234 193.1
[M+CH3COO]- 434.06799 194.7
[M+Na-2H]- 396.02881 184.7
[M]+ 375.05359 188.4
[M]- 375.05469 188.4
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.