CID 361149

Nsc623981

Structural Information

Molecular Formula
C16H13NO2
SMILES
C=C1C2C3=CC=CC=C3OC1ON2C4=CC=CC=C4
InChI
InChI=1S/C16H13NO2/c1-11-15-13-9-5-6-10-14(13)18-16(11)19-17(15)12-7-3-2-4-8-12/h2-10,15-16H,1H2
InChIKey
RISQKOIRISDKFS-UHFFFAOYSA-N
Compound name
12-methylidene-11-phenyl-8,10-dioxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09464 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 153.9
[M+Na]+ 274.08386 163.0
[M-H]- 250.08736 160.9
[M+NH4]+ 269.12846 171.4
[M+K]+ 290.05780 160.1
[M+H-H2O]+ 234.09190 146.6
[M+HCOO]- 296.09284 170.8
[M+CH3COO]- 310.10849 166.5
[M+Na-2H]- 272.06931 160.8
[M]+ 251.09409 154.5
[M]- 251.09519 154.5
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.