CID 210972

22019-21-2

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 189.6
[M+Na]+ 366.14645 200.4
[M-H]- 342.14995 195.4
[M+NH4]+ 361.19105 205.5
[M+K]+ 382.12039 188.1
[M+H-H2O]+ 326.15449 174.9
[M+HCOO]- 388.15543 203.3
[M+CH3COO]- 402.17108 198.0
[M+Na-2H]- 364.13190 187.0
[M]+ 343.15668 182.3
[M]- 343.15778 182.3
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.