CID 3071501

6,7-diethoxy-2-((dimethylamino)methyl)-3,4-dihydro-1(2h)-naphthalenone hydrochloride

Structural Information

Molecular Formula
C17H25NO3
SMILES
CCOC1=C(C=C2C(=C1)CCC(C2=O)CN(C)C)OCC
InChI
InChI=1S/C17H25NO3/c1-5-20-15-9-12-7-8-13(11-18(3)4)17(19)14(12)10-16(15)21-6-2/h9-10,13H,5-8,11H2,1-4H3
InChIKey
YDLDEOGAVYDJPY-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-6,7-diethoxy-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 168.7
[M+Na]+ 314.17266 175.0
[M-H]- 290.17616 174.1
[M+NH4]+ 309.21726 186.2
[M+K]+ 330.14660 173.4
[M+H-H2O]+ 274.18070 161.4
[M+HCOO]- 336.18164 189.8
[M+CH3COO]- 350.19729 211.9
[M+Na-2H]- 312.15811 170.8
[M]+ 291.18289 173.0
[M]- 291.18399 173.0
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.