CID 214707

Brn 0898625

Structural Information

Molecular Formula
C17H21N3O3
SMILES
COC1=C(C=C2C(=C1)C(=O)N3CCC4CCCCN4C3=N2)OC
InChI
InChI=1S/C17H21N3O3/c1-22-14-9-12-13(10-15(14)23-2)18-17-19-7-4-3-5-11(19)6-8-20(17)16(12)21/h9-11H,3-8H2,1-2H3
InChIKey
MWRPQMGSGKVKAZ-UHFFFAOYSA-N
Compound name
14,15-dimethoxy-2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12,14,16-tetraen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 175.4
[M+Na]+ 338.14752 189.7
[M+NH4]+ 333.19212 183.4
[M+K]+ 354.12146 182.0
[M-H]- 314.15102 177.4
[M+Na-2H]- 336.13297 178.6
[M]+ 315.15775 178.0
[M]- 315.15885 178.0
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.