CID 154699844

Ns00116283

Structural Information

Molecular Formula
C19H19NO4
SMILES
COC1C2=C(CC3=C4C=C5C(=CC4CCN3C2)OCO5)C=CC1=O
InChI
InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,12,19H,4-6,9-10H2,1H3
InChIKey
WNIUXZWKFMPIKR-UHFFFAOYSA-N
Compound name
16-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1,3,8,15(20),18-pentaen-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1314 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 171.4
[M+Na]+ 348.120618 179.0
[M-H]- 324.124124 177.6
[M+NH4]+ 343.165223 187.0
[M+K]+ 364.094558 176.4
[M+H-H2O]+ 308.128660 163.3
[M+HCOO]- 370.129601 182.4
[M+CH3COO]- 384.145251 181.8
[M+Na-2H]- 346.106066 175.5
[M]+ 325.13085142 171.5
[M]- 325.13194858 171.5
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.