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]+ 299.17540 170.1
[M+Na]+ 321.15734 174.5
[M-H]- 297.16084 174.9
[M+NH4]+ 316.20194 184.2
[M+K]+ 337.13128 169.5
[M+H-H2O]+ 281.16538 160.7
[M+HCOO]- 343.16632 187.5
[M+CH3COO]- 357.18197 206.7
[M+Na-2H]- 319.14279 173.6
[M]+ 298.16757 165.9
[M]- 298.16867 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.