CID 453916

10allyl-dboa-11one

Structural Information

Molecular Formula
C16H13NO2
SMILES
C=CCN1C2=CC=CC=C2OC3=CC=CC=C3C1=O
InChI
InChI=1S/C16H13NO2/c1-2-11-17-13-8-4-6-10-15(13)19-14-9-5-3-7-12(14)16(17)18/h2-10H,1,11H2
InChIKey
QANXXCPLBYYJSG-UHFFFAOYSA-N
Compound name
5-prop-2-enylbenzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 152.9
[M+Na]+ 274.08386 161.5
[M-H]- 250.08736 159.1
[M+NH4]+ 269.12846 168.9
[M+K]+ 290.05780 161.5
[M+H-H2O]+ 234.09190 147.0
[M+HCOO]- 296.09284 171.6
[M+CH3COO]- 310.10849 165.2
[M+Na-2H]- 272.06931 160.9
[M]+ 251.09409 152.1
[M]- 251.09519 152.1
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.