CID 3062600

98519-24-5

Structural Information

Molecular Formula
C15H15N3O3
SMILES
C[C@H]1CO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C15H15N3O3/c1-11-7-19-15(21-11,8-18-10-16-9-17-18)14-6-12-4-2-3-5-13(12)20-14/h2-6,9-11H,7-8H2,1H3/t11-,15+/m0/s1
InChIKey
PIIXAPHXKDVYRY-XHDPSFHLSA-N
Compound name
1-[[(2R,4S)-2-(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

285.11133 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 158.4
[M+Na]+ 308.10055 168.8
[M-H]- 284.10405 168.3
[M+NH4]+ 303.14515 174.1
[M+K]+ 324.07449 169.1
[M+H-H2O]+ 268.10859 151.7
[M+HCOO]- 330.10953 178.3
[M+CH3COO]- 344.12518 171.8
[M+Na-2H]- 306.08600 161.8
[M]+ 285.11078 163.8
[M]- 285.11188 163.8
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.