CID 25203564

16-hydroxy-15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one

Structural Information

Molecular Formula
C20H19NO6
SMILES
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1O)C5=C(C=C4)OCO5)OCO3
InChI
InChI=1S/C20H19NO6/c1-21-5-4-11-7-16-17(26-9-25-16)8-13(11)14(22)6-12-2-3-15-19(27-10-24-15)18(12)20(21)23/h2-3,7-8,20,23H,4-6,9-10H2,1H3
InChIKey
PDFKSGBOVFZOGL-UHFFFAOYSA-N
Compound name
16-hydroxy-15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

369.12125 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12853 181.0
[M+Na]+ 392.11047 193.4
[M+NH4]+ 387.15507 187.7
[M+K]+ 408.08441 192.7
[M-H]- 368.11397 187.8
[M+Na-2H]- 390.09592 179.1
[M]+ 369.12070 184.5
[M]- 369.12180 184.5
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.