CID 3064630

Benzo(6,7)cyclohept(1,2-b)-1,4-oxazine, 2,3,4,4a,5,6,7,11b-octahydro-4-acetyl-, trans-

Structural Information

Molecular Formula
C15H19NO2
SMILES
CC(=O)N1CCO[C@@H]2[C@@H]1CCCC3=CC=CC=C23
InChI
InChI=1S/C15H19NO2/c1-11(17)16-9-10-18-15-13-7-3-2-5-12(13)6-4-8-14(15)16/h2-3,5,7,14-15H,4,6,8-10H2,1H3/t14-,15-/m0/s1
InChIKey
ODAGHUNGRZBFNQ-GJZGRUSLSA-N
Compound name
1-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 156.4
[M+Na]+ 268.13081 166.8
[M+NH4]+ 263.17541 164.6
[M+K]+ 284.10475 161.7
[M-H]- 244.13431 159.8
[M+Na-2H]- 266.11626 160.0
[M]+ 245.14104 158.9
[M]- 245.14214 158.9
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.