CID 3042042

1h-cyclopent(h)isoquinoline, 2,3,4,7,8,9-hexahydro-5,6-dimethoxy-2-methyl-, hydrobromide

Structural Information

Molecular Formula
C15H21NO2
SMILES
CN1CCC2=C(C1)C3=C(CCC3)C(=C2OC)OC
InChI
InChI=1S/C15H21NO2/c1-16-8-7-12-13(9-16)10-5-4-6-11(10)14(17-2)15(12)18-3/h4-9H2,1-3H3
InChIKey
ORCPIRRTMXCXGM-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-2-methyl-1,3,4,7,8,9-hexahydrocyclopenta[h]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.8
[M+Na]+ 270.146448 165.7
[M-H]- 246.149954 161.5
[M+NH4]+ 265.191053 178.2
[M+K]+ 286.120388 162.4
[M+H-H2O]+ 230.154490 151.1
[M+HCOO]- 292.155431 175.4
[M+CH3COO]- 306.171081 196.7
[M+Na-2H]- 268.131896 160.4
[M]+ 247.15668142 158.6
[M]- 247.15777858 158.6
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

No patent data available for this compound.