CID 3062612

1,3-dioxolane-4-methanol, 2-(2-benzofuranyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-, trans-

Structural Information

Molecular Formula
C15H15N3O4
SMILES
C1[C@@H](O[C@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)CO
InChI
InChI=1S/C15H15N3O4/c19-6-12-7-20-15(22-12,8-18-10-16-9-17-18)14-5-11-3-1-2-4-13(11)21-14/h1-5,9-10,12,19H,6-8H2/t12-,15+/m0/s1
InChIKey
ZHZAXCRDSDIEFS-SWLSCSKDSA-N
Compound name
[(2R,4S)-2-(1-benzofuran-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.10626 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11354 161.9
[M+Na]+ 324.09548 174.7
[M+NH4]+ 319.14008 169.9
[M+K]+ 340.06942 174.4
[M-H]- 300.09898 168.2
[M+Na-2H]- 322.08093 168.3
[M]+ 301.10571 165.6
[M]- 301.10681 165.6
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.