CID 6912266

7-hydroxy-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydro-1h-benzo(de)chinolin-8-carboxaldehyde hcl

Structural Information

Molecular Formula
C16H19NO4
SMILES
CN1CCC2=CC(=C(C3=C2C1C/C(=C\O)/C3=O)OC)OC
InChI
InChI=1S/C16H19NO4/c1-17-5-4-9-7-12(20-2)16(21-3)14-13(9)11(17)6-10(8-18)15(14)19/h7-8,11,18H,4-6H2,1-3H3/b10-8+
InChIKey
WDZDXNOJDHRIKQ-CSKARUKUSA-N
Compound name
(8E)-8-(hydroxymethylidene)-5,6-dimethoxy-1-methyl-2,3,9,9a-tetrahydrobenzo[de]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 165.8
[M+Na]+ 312.12062 178.2
[M+NH4]+ 307.16522 173.2
[M+K]+ 328.09456 171.8
[M-H]- 288.12412 166.6
[M+Na-2H]- 310.10607 167.2
[M]+ 289.13085 167.6
[M]- 289.13195 167.6
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.