CID 55199

Brn 6868381

Structural Information

Molecular Formula
C16H22N2O
SMILES
CCCN1CCO[C@@H]2[C@@H]1C[C@@H]3CNC4=CC=CC2=C34
InChI
InChI=1S/C16H22N2O/c1-2-6-18-7-8-19-16-12-4-3-5-13-15(12)11(10-17-13)9-14(16)18/h3-5,11,14,16-17H,2,6-10H2,1H3/t11-,14+,16+/m1/s1
InChIKey
OXOXQLCRBAXCQT-WPGHFRTFSA-N
Compound name
(2S,7S,9S)-6-propyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),12,14-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 162.1
[M+Na]+ 281.16244 174.0
[M+NH4]+ 276.20704 171.8
[M+K]+ 297.13638 168.1
[M-H]- 257.16594 165.2
[M+Na-2H]- 279.14789 163.0
[M]+ 258.17267 164.6
[M]- 258.17377 164.6
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.