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 162.6
[M+Na]+ 292.13079 169.3
[M-H]- 268.13429 168.1
[M+NH4]+ 287.17539 178.6
[M+K]+ 308.10473 164.5
[M+H-H2O]+ 252.13883 154.0
[M+HCOO]- 314.13977 179.3
[M+CH3COO]- 328.15542 199.9
[M+Na-2H]- 290.11624 165.2
[M]+ 269.14102 159.1
[M]- 269.14212 159.1
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

patents stripe