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]+ 244.133206 155.2
[M+Na]+ 266.115148 164.2
[M-H]- 242.118654 158.7
[M+NH4]+ 261.159753 174.3
[M+K]+ 282.089088 160.9
[M+H-H2O]+ 226.123190 147.6
[M+HCOO]- 288.124131 173.6
[M+CH3COO]- 302.139781 197.7
[M+Na-2H]- 264.100596 162.0
[M]+ 243.12538142 158.5
[M]- 243.12647858 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.