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]+ 304.190716 172.9
[M+Na]+ 326.172658 177.6
[M-H]- 302.176164 177.6
[M+NH4]+ 321.217263 187.3
[M+K]+ 342.146598 174.1
[M+H-H2O]+ 286.180700 163.7
[M+HCOO]- 348.181641 187.7
[M+CH3COO]- 362.197291 206.1
[M+Na-2H]- 324.158106 174.0
[M]+ 303.18289142 170.4
[M]- 303.18398858 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.