CID 216074

Brn 1549182

Structural Information

Molecular Formula
C20H23NO2
SMILES
CCCN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)O)OC
InChI
InChI=1S/C20H23NO2/c1-3-9-21-10-8-14-12-17(23-2)20(22)19-15-7-5-4-6-13(15)11-16(21)18(14)19/h4-7,12,16,22H,3,8-11H2,1-2H3/t16-/m1/s1
InChIKey
BWVBEWNADVIPHA-MRXNPFEDSA-N
Compound name
(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 174.8
[M+Na]+ 332.16210 182.0
[M-H]- 308.16560 177.0
[M+NH4]+ 327.20670 191.1
[M+K]+ 348.13604 176.3
[M+H-H2O]+ 292.17014 166.0
[M+HCOO]- 354.17108 187.8
[M+CH3COO]- 368.18673 184.4
[M+Na-2H]- 330.14755 179.6
[M]+ 309.17233 175.4
[M]- 309.17343 175.4
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