CID 3062593

98519-13-2

Structural Information

Molecular Formula
C16H16N2O3
SMILES
C1COC(OC1)(CN2C=CN=C2)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C16H16N2O3/c1-2-5-14-13(4-1)10-15(21-14)16(19-8-3-9-20-16)11-18-7-6-17-12-18/h1-2,4-7,10,12H,3,8-9,11H2
InChIKey
QXWQGVSLRHBJTR-UHFFFAOYSA-N
Compound name
1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 160.1
[M+Na]+ 307.10532 168.6
[M-H]- 283.10882 170.1
[M+NH4]+ 302.14992 174.9
[M+K]+ 323.07926 168.4
[M+H-H2O]+ 267.11336 152.3
[M+HCOO]- 329.11430 178.8
[M+CH3COO]- 343.12995 172.7
[M+Na-2H]- 305.09077 165.9
[M]+ 284.11555 162.6
[M]- 284.11665 162.6
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.