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 175.1
[M+Na]+ 358.10497 185.0
[M-H]- 334.10847 186.0
[M+NH4]+ 353.14957 193.2
[M+K]+ 374.07891 183.1
[M+H-H2O]+ 318.11301 170.4
[M+HCOO]- 380.11395 194.3
[M+CH3COO]- 394.12960 187.9
[M+Na-2H]- 356.09042 175.7
[M]+ 335.11520 181.2
[M]- 335.11630 181.2
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.