CID 162739

53948-09-7

Structural Information

Molecular Formula
C17H13NO3
SMILES
COC1=C(C2=C3C(=C1)C(=O)NC3=CC4=CC=CC=C42)OC
InChI
InChI=1S/C17H13NO3/c1-20-13-8-11-14-12(18-17(11)19)7-9-5-3-4-6-10(9)15(14)16(13)21-2/h3-8H,1-2H3,(H,18,19)
InChIKey
YHQIYHDLBZXUON-UHFFFAOYSA-N
Compound name
14,15-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

9
References

36
Patents

279.08954 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 161.6
[M+Na]+ 302.07876 173.4
[M-H]- 278.08226 165.9
[M+NH4]+ 297.12336 181.4
[M+K]+ 318.05270 167.9
[M+H-H2O]+ 262.08680 154.6
[M+HCOO]- 324.08774 181.4
[M+CH3COO]- 338.10339 174.4
[M+Na-2H]- 300.06421 168.3
[M]+ 279.08899 167.3
[M]- 279.09009 167.3
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