CID 38057

38528-39-1

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1CCN(CC1)CCCNC2=CC(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H22N2O2/c21-17-13-16(18(22)15-8-3-2-7-14(15)17)19-9-6-12-20-10-4-1-5-11-20/h2-3,7-8,13,19H,1,4-6,9-12H2
InChIKey
RDAZHLFQAKFZIM-UHFFFAOYSA-N
Compound name
2-(3-piperidin-1-ylpropylamino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 170.1
[M+Na]+ 321.157338 174.5
[M-H]- 297.160844 174.9
[M+NH4]+ 316.201943 184.2
[M+K]+ 337.131278 169.5
[M+H-H2O]+ 281.165380 160.7
[M+HCOO]- 343.166321 187.5
[M+CH3COO]- 357.181971 206.7
[M+Na-2H]- 319.142786 173.6
[M]+ 298.16757142 165.9
[M]- 298.16866858 165.9
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.