CID 3064603

Benzo(6,7)cyclohept(1,2-b)-1,4-oxazin-3(2h)-one, 4,4a,5,6,7,11b-hexahydro-, trans-

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1C[C@H]2[C@H](C3=CC=CC=C3C1)OCC(=O)N2
InChI
InChI=1S/C13H15NO2/c15-12-8-16-13-10-6-2-1-4-9(10)5-3-7-11(13)14-12/h1-2,4,6,11,13H,3,5,7-8H2,(H,14,15)/t11-,13-/m0/s1
InChIKey
OYVCGOXGFFKUBJ-AAEUAGOBSA-N
Compound name
(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.3
[M+Na]+ 240.09950 158.9
[M+NH4]+ 235.14410 156.5
[M+K]+ 256.07344 153.7
[M-H]- 216.10300 151.4
[M+Na-2H]- 238.08495 152.1
[M]+ 217.10973 150.6
[M]- 217.11083 150.6
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.