CID 56715

N-688

Structural Information

Molecular Formula
C18H25NO3
SMILES
COC1=C(C=C2C(=C1)CCC(C2=O)CN3CCCCC3)OC
InChI
InChI=1S/C18H25NO3/c1-21-16-10-13-6-7-14(12-19-8-4-3-5-9-19)18(20)15(13)11-17(16)22-2/h10-11,14H,3-9,12H2,1-2H3
InChIKey
KBHPLQBIOCDERF-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 172.9
[M+Na]+ 326.17266 177.6
[M-H]- 302.17616 177.6
[M+NH4]+ 321.21726 187.3
[M+K]+ 342.14660 174.1
[M+H-H2O]+ 286.18070 163.7
[M+HCOO]- 348.18164 187.7
[M+CH3COO]- 362.19729 206.1
[M+Na-2H]- 324.15811 174.0
[M]+ 303.18289 170.4
[M]- 303.18399 170.4
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.