CID 210966

22019-15-4

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 191.1
[M+Na]+ 368.16210 201.6
[M-H]- 344.16560 197.0
[M+NH4]+ 363.20670 207.4
[M+K]+ 384.13604 191.6
[M+H-H2O]+ 328.17014 177.3
[M+HCOO]- 390.17108 207.9
[M+CH3COO]- 404.18673 221.7
[M+Na-2H]- 366.14755 190.9
[M]+ 345.17233 187.9
[M]- 345.17343 187.9
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.