CID 583568

135127-46-7

Structural Information

Molecular Formula
C20H17ClN2O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C20H17ClN2O2/c21-17-18(20(25)16-9-5-4-8-15(16)19(17)24)23-12-10-22(11-13-23)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKey
VVCXACYNOIORRL-UHFFFAOYSA-N
Compound name
2-chloro-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.09787 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10515 182.2
[M+Na]+ 375.08709 199.6
[M+NH4]+ 370.13169 191.0
[M+K]+ 391.06103 189.6
[M-H]- 351.09059 188.6
[M+Na-2H]- 373.07254 191.2
[M]+ 352.09732 187.0
[M]- 352.09842 187.0
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

patents stripe