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]+ 286.118606 158.4
[M+Na]+ 308.100548 168.8
[M-H]- 284.104054 168.3
[M+NH4]+ 303.145153 174.1
[M+K]+ 324.074488 169.1
[M+H-H2O]+ 268.108590 151.7
[M+HCOO]- 330.109531 178.3
[M+CH3COO]- 344.125181 171.8
[M+Na-2H]- 306.085996 161.8
[M]+ 285.11078142 163.8
[M]- 285.11187858 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.