CID 3059335

76334-71-9

Structural Information

Molecular Formula
C18H19NO3
SMILES
COC1=CC2=C(C=C1)C34CC(C2)NCC3=CC(=O)C(=C4)OC
InChI
InChI=1S/C18H19NO3/c1-21-14-3-4-15-11(6-14)5-13-8-18(15)9-17(22-2)16(20)7-12(18)10-19-13/h3-4,6-7,9,13,19H,5,8,10H2,1-2H3
InChIKey
OPZBCQLVINGBBX-UHFFFAOYSA-N
Compound name
5,15-dimethoxy-10-azatetracyclo[7.7.1.01,12.02,7]heptadeca-2(7),3,5,12,15-pentaen-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 168.9
[M+Na]+ 320.125718 176.4
[M-H]- 296.129224 171.0
[M+NH4]+ 315.170323 187.2
[M+K]+ 336.099658 171.3
[M+H-H2O]+ 280.133760 160.1
[M+HCOO]- 342.134701 181.5
[M+CH3COO]- 356.150351 178.8
[M+Na-2H]- 318.111166 175.6
[M]+ 297.13595142 168.1
[M]- 297.13704858 168.1
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.