CID 237102

6312-48-7

Structural Information

Molecular Formula
C15H15ClN2O2
SMILES
CN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl
InChI
InChI=1S/C15H15ClN2O2/c1-17-6-8-18(9-7-17)13-12(16)14(19)10-4-2-3-5-11(10)15(13)20/h2-5H,6-9H2,1H3
InChIKey
GUNUJEHGUYLPRR-UHFFFAOYSA-N
Compound name
2-chloro-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

290.0822 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08948 165.5
[M+Na]+ 313.07142 174.8
[M-H]- 289.07492 170.0
[M+NH4]+ 308.11602 180.4
[M+K]+ 329.04536 168.8
[M+H-H2O]+ 273.07946 156.9
[M+HCOO]- 335.08040 176.9
[M+CH3COO]- 349.09605 176.3
[M+Na-2H]- 311.05687 167.9
[M]+ 290.08165 164.4
[M]- 290.08275 164.4
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

patents stripe