CID 3062579

98518-95-7

Structural Information

Molecular Formula
C15H15N3O3
SMILES
C1COC(OC1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C15H15N3O3/c1-2-5-13-12(4-1)8-14(21-13)15(19-6-3-7-20-15)9-18-11-16-10-17-18/h1-2,4-5,8,10-11H,3,6-7,9H2
InChIKey
QONLNYKQICMQRS-UHFFFAOYSA-N
Compound name
1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 160.3
[M+Na]+ 308.10055 174.8
[M+NH4]+ 303.14515 169.4
[M+K]+ 324.07449 171.0
[M-H]- 284.10405 168.1
[M+Na-2H]- 306.08600 168.6
[M]+ 285.11078 164.8
[M]- 285.11188 164.8
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

patents stripe