CID 210966

1,3-indandione, 2-(4-(diethylamino)-2-butynyl)-2-phenyl-, hydrochloride

Structural Information

Molecular Formula
C23H23NO2
SMILES
CCN(CC)CC#CCC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C23H23NO2/c1-3-24(4-2)17-11-10-16-23(18-12-6-5-7-13-18)21(25)19-14-8-9-15-20(19)22(23)26/h5-9,12-15H,3-4,16-17H2,1-2H3
InChIKey
BMFURACVVHYJID-UHFFFAOYSA-N
Compound name
2-[4-(diethylamino)but-2-ynyl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18016 184.2
[M+Na]+ 368.16210 196.5
[M+NH4]+ 363.20670 189.8
[M+K]+ 384.13604 184.5
[M-H]- 344.16560 180.5
[M+Na-2H]- 366.14755 188.4
[M]+ 345.17233 184.2
[M]- 345.17343 184.2
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.