CID 45288

10,11-dihydro-5-(n,n-dimethylaminoethoxy)-7-methoxy-5h-benzo(4,5)cyclohepta(1,2-b)pyridine

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CN(C)CCOC1C2=C(CCC3=C1C=C(C=C3)OC)N=CC=C2
InChI
InChI=1S/C19H24N2O2/c1-21(2)11-12-23-19-16-5-4-10-20-18(16)9-7-14-6-8-15(22-3)13-17(14)19/h4-6,8,10,13,19H,7,9,11-12H2,1-3H3
InChIKey
ZJDCJIPLVLYGPI-UHFFFAOYSA-N
Compound name
2-[(14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 172.5
[M+Na]+ 335.17300 178.2
[M-H]- 311.17650 178.7
[M+NH4]+ 330.21760 187.7
[M+K]+ 351.14694 179.6
[M+H-H2O]+ 295.18104 165.1
[M+HCOO]- 357.18198 192.0
[M+CH3COO]- 371.19763 214.9
[M+Na-2H]- 333.15845 178.0
[M]+ 312.18323 173.8
[M]- 312.18433 173.8
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.