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

literature stripe

Patent stripe

patents stripe