CID 3062637

98532-81-1

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CCC1(COC(OC1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)CC
InChI
InChI=1S/C19H23N3O3/c1-3-18(4-2)11-23-19(24-12-18,10-22-14-20-13-21-22)17-9-15-7-5-6-8-16(15)25-17/h5-9,13-14H,3-4,10-12H2,1-2H3
InChIKey
WGJBHZHZDFHDRV-UHFFFAOYSA-N
Compound name
1-[[2-(1-benzofuran-2-yl)-5,5-diethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.17395 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18123 175.8
[M+Na]+ 364.16317 189.9
[M+NH4]+ 359.20777 185.6
[M+K]+ 380.13711 183.8
[M-H]- 340.16667 183.4
[M+Na-2H]- 362.14862 184.3
[M]+ 341.17340 180.4
[M]- 341.17450 180.4
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

patents stripe