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 183.5
[M+Na]+ 375.08709 191.6
[M-H]- 351.09059 190.4
[M+NH4]+ 370.13169 195.0
[M+K]+ 391.06103 184.0
[M+H-H2O]+ 335.09513 172.5
[M+HCOO]- 397.09607 194.2
[M+CH3COO]- 411.11172 192.7
[M+Na-2H]- 373.07254 185.3
[M]+ 352.09732 181.4
[M]- 352.09842 181.4
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