CID 206509

50332-17-7

Structural Information

Molecular Formula
C20H17NO4
SMILES
COC1=CC=C(C=C1)C(=O)N2C3=C(CCC3)C4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C20H17NO4/c1-23-13-7-5-12(6-8-13)20(22)21-16-4-2-3-14(16)15-9-18-19(10-17(15)21)25-11-24-18/h5-10H,2-4,11H2,1H3
InChIKey
CMGADCJREZYXQX-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-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.11575 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12303 173.7
[M+Na]+ 358.10497 187.2
[M+NH4]+ 353.14957 182.6
[M+K]+ 374.07891 186.7
[M-H]- 334.10847 180.0
[M+Na-2H]- 356.09042 176.9
[M]+ 335.11520 177.5
[M]- 335.11630 177.5
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.