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 161.1
[M+Na]+ 307.14169 168.7
[M-H]- 283.14519 167.0
[M+NH4]+ 302.18629 180.1
[M+K]+ 323.11563 165.9
[M+H-H2O]+ 267.14973 152.9
[M+HCOO]- 329.15067 173.8
[M+CH3COO]- 343.16632 172.2
[M+Na-2H]- 305.12714 165.7
[M]+ 284.15192 159.9
[M]- 284.15302 159.9
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.