CID 3059070

Brn 5604965

Structural Information

Molecular Formula
C17H20N2O2
SMILES
C1CCC(CC1)C23C4=NC5=CC=CC=C5N4CC(O2)CO3
InChI
InChI=1S/C17H20N2O2/c1-2-6-12(7-3-1)17-16-18-14-8-4-5-9-15(14)19(16)10-13(21-17)11-20-17/h4-5,8-9,12-13H,1-3,6-7,10-11H2
InChIKey
FLDAAQJCYRTWGG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 165.6
[M+Na]+ 307.14169 178.4
[M+NH4]+ 302.18629 177.2
[M+K]+ 323.11563 172.9
[M-H]- 283.14519 171.4
[M+Na-2H]- 305.12714 169.0
[M]+ 284.15192 169.3
[M]- 284.15302 169.3
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.