CID 14039008

116084-93-6

Structural Information

Molecular Formula
C17H13NO4
SMILES
COC1=C2C3=C(C4=CC=CC=C4C=C3NC2=O)C(=C1OC)O
InChI
InChI=1S/C17H13NO4/c1-21-15-13-12-10(18-17(13)20)7-8-5-3-4-6-9(8)11(12)14(19)16(15)22-2/h3-7,19H,1-2H3,(H,18,20)
InChIKey
PHKYZFGDNGACRM-UHFFFAOYSA-N
Compound name
15-hydroxy-13,14-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

295.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.091746 165.0
[M+Na]+ 318.073688 176.9
[M-H]- 294.077194 168.3
[M+NH4]+ 313.118293 183.6
[M+K]+ 334.047628 171.5
[M+H-H2O]+ 278.081730 158.5
[M+HCOO]- 340.082671 183.3
[M+CH3COO]- 354.098321 177.3
[M+Na-2H]- 316.059136 170.8
[M]+ 295.08392142 170.8
[M]- 295.08501858 170.8
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