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]+ 311.175396 174.5
[M+Na]+ 333.157338 181.4
[M-H]- 309.160844 178.4
[M+NH4]+ 328.201943 189.5
[M+K]+ 349.131278 175.6
[M+H-H2O]+ 293.165380 165.2
[M+HCOO]- 355.166321 189.2
[M+CH3COO]- 369.181971 184.1
[M+Na-2H]- 331.142786 176.5
[M]+ 310.16757142 172.7
[M]- 310.16866858 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.