CID 166470

75397-64-7

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC1=C(C(=O)C2=CC=CC=C2C1=O)CN3CCCCC3
InChI
InChI=1S/C17H19NO2/c1-12-15(11-18-9-5-2-6-10-18)17(20)14-8-4-3-7-13(14)16(12)19/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKey
CXUJOSXLNLGXDW-UHFFFAOYSA-N
Compound name
2-methyl-3-(piperidin-1-ylmethyl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

269.14157 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 163.4
[M+Na]+ 292.13079 177.5
[M+NH4]+ 287.17539 172.2
[M+K]+ 308.10473 169.2
[M-H]- 268.13429 167.8
[M+Na-2H]- 290.11624 169.8
[M]+ 269.14102 166.6
[M]- 269.14212 166.6
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.