CID 3038695

1h-benzo(de)quinoline, 2,3-dihydro-5,6-dimethoxy-1-methyl-, hydrochloride

Structural Information

Molecular Formula
C15H17NO2
SMILES
CN1CCC2=CC(=C(C3=C2C1=CC=C3)OC)OC
InChI
InChI=1S/C15H17NO2/c1-16-8-7-10-9-13(17-2)15(18-3)11-5-4-6-12(16)14(10)11/h4-6,9H,7-8H2,1-3H3
InChIKey
YABAJGGADMFKMX-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-1-methyl-2,3-dihydrobenzo[de]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.2
[M+Na]+ 266.11515 164.2
[M-H]- 242.11865 158.7
[M+NH4]+ 261.15975 174.3
[M+K]+ 282.08909 160.9
[M+H-H2O]+ 226.12319 147.6
[M+HCOO]- 288.12413 173.6
[M+CH3COO]- 302.13978 197.7
[M+Na-2H]- 264.10060 162.0
[M]+ 243.12538 158.5
[M]- 243.12648 158.5
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.