CID 73044

Oxocularine

Structural Information

Molecular Formula
C19H15NO5
SMILES
COC1=C2C3=C(C=C1)C=CN=C3C(=O)C4=CC(=C(C=C4O2)OC)OC
InChI
InChI=1S/C19H15NO5/c1-22-12-5-4-10-6-7-20-17-16(10)19(12)25-13-9-15(24-3)14(23-2)8-11(13)18(17)21/h4-9H,1-3H3
InChIKey
AGKDNGLOUYCNMU-UHFFFAOYSA-N
Compound name
5,6,17-trimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

337.09503 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10231 176.2
[M+Na]+ 360.08425 186.5
[M-H]- 336.08775 183.6
[M+NH4]+ 355.12885 190.5
[M+K]+ 376.05819 188.6
[M+H-H2O]+ 320.09229 169.4
[M+HCOO]- 382.09323 193.7
[M+CH3COO]- 396.10888 187.9
[M+Na-2H]- 358.06970 183.7
[M]+ 337.09448 182.6
[M]- 337.09558 182.6
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.