CID 432061

57612-12-1

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCC(C)CN1CCC2=C(C1)C(=C(C3=C2CCC3)OC)OC
InChI
InChI=1S/C19H29NO2/c1-5-13(2)11-20-10-9-15-14-7-6-8-16(14)18(21-3)19(22-4)17(15)12-20/h13H,5-12H2,1-4H3
InChIKey
DRBYCRJHXINHED-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-3-(2-methylbutyl)-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.8
[M+Na]+ 326.20904 182.6
[M-H]- 302.21254 179.8
[M+NH4]+ 321.25364 194.8
[M+K]+ 342.18298 178.8
[M+H-H2O]+ 286.21708 169.5
[M+HCOO]- 348.21802 191.9
[M+CH3COO]- 362.23367 209.5
[M+Na-2H]- 324.19449 176.0
[M]+ 303.21927 178.3
[M]- 303.22037 178.3
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.