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]+ 262.18016 161.6
[M+Na]+ 284.16210 167.4
[M-H]- 260.16560 165.0
[M+NH4]+ 279.20670 177.9
[M+K]+ 300.13604 164.9
[M+H-H2O]+ 244.17014 153.4
[M+HCOO]- 306.17108 175.7
[M+CH3COO]- 320.18673 172.1
[M+Na-2H]- 282.14755 166.8
[M]+ 261.17233 160.6
[M]- 261.17343 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