CID 38058

38528-40-4

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CN1CCN(CC1)CCCNC2=CC(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H23N3O2/c1-20-9-11-21(12-10-20)8-4-7-19-16-13-17(22)14-5-2-3-6-15(14)18(16)23/h2-3,5-6,13,19H,4,7-12H2,1H3
InChIKey
XVOWQUMVQNCAGK-UHFFFAOYSA-N
Compound name
2-[3-(4-methylpiperazin-1-yl)propylamino]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.17902 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 176.4
[M+Na]+ 336.16824 188.6
[M+NH4]+ 331.21284 183.5
[M+K]+ 352.14218 180.8
[M-H]- 312.17174 180.0
[M+Na-2H]- 334.15369 181.6
[M]+ 313.17847 178.9
[M]- 313.17957 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.