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]+ 292.190716 168.7
[M+Na]+ 314.172658 175.0
[M-H]- 290.176164 174.1
[M+NH4]+ 309.217263 186.2
[M+K]+ 330.146598 173.4
[M+H-H2O]+ 274.180700 161.4
[M+HCOO]- 336.181641 189.8
[M+CH3COO]- 350.197291 211.9
[M+Na-2H]- 312.158106 170.8
[M]+ 291.18289142 173.0
[M]- 291.18398858 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.