CID 210972

2-phenyl-2-(delta-pyrrolidinylbutynyl)indan-1,3-dione hydrochloride

Structural Information

Molecular Formula
C23H21NO2
SMILES
C1CCN(C1)CC#CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H21NO2/c25-21-19-12-4-5-13-20(19)22(26)23(21,18-10-2-1-3-11-18)14-6-7-15-24-16-8-9-17-24/h1-5,10-13H,8-9,14-17H2
InChIKey
TUGKNPYYBHZHPJ-UHFFFAOYSA-N
Compound name
2-phenyl-2-(4-pyrrolidin-1-ylbut-2-ynyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16451 184.8
[M+Na]+ 366.14645 197.1
[M+NH4]+ 361.19105 190.7
[M+K]+ 382.12039 186.6
[M-H]- 342.14995 181.3
[M+Na-2H]- 364.13190 188.9
[M]+ 343.15668 184.9
[M]- 343.15778 184.9
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.