CID 3059069

Brn 5600412

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCCCCCC12C3=NC4=CC=CC=C4N3CC(O1)CO2
InChI
InChI=1S/C17H22N2O2/c1-2-3-4-7-10-17-16-18-14-8-5-6-9-15(14)19(16)11-13(21-17)12-20-17/h5-6,8-9,13H,2-4,7,10-12H2,1H3
InChIKey
XNGRXGBEOFHBQA-UHFFFAOYSA-N
Compound name
1-hexyl-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

286.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 165.8
[M+Na]+ 309.15734 175.0
[M-H]- 285.16084 169.1
[M+NH4]+ 304.20194 185.6
[M+K]+ 325.13128 172.3
[M+H-H2O]+ 269.16538 158.7
[M+HCOO]- 331.16632 181.4
[M+CH3COO]- 345.18197 177.4
[M+Na-2H]- 307.14279 171.8
[M]+ 286.16757 171.3
[M]- 286.16867 171.3
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.