CID 210986

1,3-indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride

Structural Information

Molecular Formula
C19H21NO2
SMILES
CC1(C(=O)C2=CC=CC=C2C1=O)CC#CCN3CCCCC3
InChI
InChI=1S/C19H21NO2/c1-19(11-5-8-14-20-12-6-2-7-13-20)17(21)15-9-3-4-10-16(15)18(19)22/h3-4,9-10H,2,6-7,11-14H2,1H3
InChIKey
UUSAQJQSQANJPB-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 172.2
[M+Na]+ 318.14645 183.5
[M+NH4]+ 313.19105 177.8
[M+K]+ 334.12039 172.4
[M-H]- 294.14995 166.9
[M+Na-2H]- 316.13190 174.6
[M]+ 295.15668 171.5
[M]- 295.15778 171.5
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.