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]+ 298.14378 168.9
[M+Na]+ 320.12572 176.4
[M-H]- 296.12922 171.0
[M+NH4]+ 315.17032 187.2
[M+K]+ 336.09966 171.3
[M+H-H2O]+ 280.13376 160.1
[M+HCOO]- 342.13470 181.5
[M+CH3COO]- 356.15035 178.8
[M+Na-2H]- 318.11117 175.6
[M]+ 297.13595 168.1
[M]- 297.13705 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.