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 175.9
[M+Na]+ 336.16824 181.1
[M-H]- 312.17174 179.5
[M+NH4]+ 331.21284 188.2
[M+K]+ 352.14218 175.9
[M+H-H2O]+ 296.17628 165.7
[M+HCOO]- 358.17722 191.8
[M+CH3COO]- 372.19287 210.7
[M+Na-2H]- 334.15369 178.5
[M]+ 313.17847 172.5
[M]- 313.17957 172.5
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.