CID 3059580

Chelidonine n-oxide

Structural Information

Molecular Formula
C20H19NO6
SMILES
C[N+]1(CC2=CC3=C(C=C2C4C1C5=CC6=C(C=C5CC4O)OCO6)OCO3)[O-]
InChI
InChI=1S/C20H19NO6/c1-21(23)7-11-4-16-17(26-9-25-16)5-12(11)19-14(22)2-10-3-15-18(27-8-24-15)6-13(10)20(19)21/h3-6,14,19-20,22H,2,7-9H2,1H3
InChIKey
ONQWPCDHWLNCRM-UHFFFAOYSA-N
Compound name
12-methyl-12-oxido-5,7,17,19-tetraoxa-12-azoniahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-2,4(8),9,14,16(20),21-hexaen-24-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12125 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12853 182.5
[M+Na]+ 392.11047 196.7
[M+NH4]+ 387.15507 193.2
[M+K]+ 408.08441 195.0
[M-H]- 368.11397 191.0
[M+Na-2H]- 390.09592 180.9
[M]+ 369.12070 187.3
[M]- 369.12180 187.3
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.