CID 146964

Cgs-18102a

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCN1CCC[C@@H]2[C@@H]1COC3=C2C(=CC=C3)OC
InChI
InChI=1S/C16H23NO2/c1-3-9-17-10-5-6-12-13(17)11-19-15-8-4-7-14(18-2)16(12)15/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3/t12-,13+/m1/s1
InChIKey
AIMYJNFPNLKTCY-OLZOCXBDSA-N
Compound name
(4aR,10bS)-10-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

261.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 161.6
[M+Na]+ 284.162098 167.4
[M-H]- 260.165604 165.0
[M+NH4]+ 279.206703 177.9
[M+K]+ 300.136038 164.9
[M+H-H2O]+ 244.170140 153.4
[M+HCOO]- 306.171081 175.7
[M+CH3COO]- 320.186731 172.1
[M+Na-2H]- 282.147546 166.8
[M]+ 261.17233142 160.6
[M]- 261.17342858 160.6
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

patents stripe