CID 210715

21569-30-2

Structural Information

Molecular Formula
C27H25ClN2O2
SMILES
C1CN(CCN1CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5Cl
InChI
InChI=1S/C27H25ClN2O2/c28-23-12-6-7-13-24(23)30-18-16-29(17-19-30)15-14-27(20-8-2-1-3-9-20)25(31)21-10-4-5-11-22(21)26(27)32/h1-13H,14-19H2
InChIKey
ANLDYWYNMYWYIX-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.16046 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.16774 211.4
[M+Na]+ 467.14968 218.5
[M-H]- 443.15318 221.2
[M+NH4]+ 462.19428 222.3
[M+K]+ 483.12362 209.5
[M+H-H2O]+ 427.15772 198.6
[M+HCOO]- 489.15866 221.7
[M+CH3COO]- 503.17431 219.0
[M+Na-2H]- 465.13513 209.3
[M]+ 444.15991 210.0
[M]- 444.16101 210.0
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

No patent data available for this compound.