CID 12885655

Brn 4710433

Structural Information

Molecular Formula
C19H22N2O2
SMILES
COC1=C(C=C2[C@H]3[C@H](CCCN3)[C@@H](C2=C1)C4=CN=CC=C4)OC
InChI
InChI=1S/C19H22N2O2/c1-22-16-9-14-15(10-17(16)23-2)19-13(6-4-8-21-19)18(14)12-5-3-7-20-11-12/h3,5,7,9-11,13,18-19,21H,4,6,8H2,1-2H3/t13-,18+,19-/m1/s1
InChIKey
CBPNGLZMKPRBBU-ZNZDAUKMSA-N
Compound name
(4aR,5S,9bR)-7,8-dimethoxy-5-pyridin-3-yl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 175.2
[M+Na]+ 333.15734 188.8
[M+NH4]+ 328.20194 184.0
[M+K]+ 349.13128 182.4
[M-H]- 309.16084 179.1
[M+Na-2H]- 331.14279 180.3
[M]+ 310.16757 178.2
[M]- 310.16867 178.2
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.