CID 206508

Brn 1029999

Structural Information

Molecular Formula
C20H17NO3
SMILES
CC1=CC=C(C=C1)C(=O)N2C3=C(CCC3)C4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C20H17NO3/c1-12-5-7-13(8-6-12)20(22)21-16-4-2-3-14(16)15-9-18-19(10-17(15)21)24-11-23-18/h5-10H,2-4,11H2,1H3
InChIKey
NENOBKWTSGGIIR-UHFFFAOYSA-N
Compound name
4,6-dioxa-15-azatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10(14)-tetraen-15-yl-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.12085 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12813 170.5
[M+Na]+ 342.11007 184.5
[M+NH4]+ 337.15467 180.0
[M+K]+ 358.08401 183.5
[M-H]- 318.11357 177.3
[M+Na-2H]- 340.09552 174.2
[M]+ 319.12030 174.6
[M]- 319.12140 174.6
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.