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 174.5
[M+Na]+ 333.15734 181.4
[M-H]- 309.16084 178.4
[M+NH4]+ 328.20194 189.5
[M+K]+ 349.13128 175.6
[M+H-H2O]+ 293.16538 165.2
[M+HCOO]- 355.16632 189.2
[M+CH3COO]- 369.18197 184.1
[M+Na-2H]- 331.14279 176.5
[M]+ 310.16757 172.7
[M]- 310.16867 172.7
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.