CID 210970

22019-19-8

Structural Information

Molecular Formula
C23H21NO3
SMILES
C1COCCN1CC#CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H21NO3/c25-21-19-10-4-5-11-20(19)22(26)23(21,18-8-2-1-3-9-18)12-6-7-13-24-14-16-27-17-15-24/h1-5,8-11H,12-17H2
InChIKey
CXMKJZVRDIOLFC-UHFFFAOYSA-N
Compound name
2-(4-morpholin-4-ylbut-2-ynyl)-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15213 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15941 189.0
[M+Na]+ 382.14135 202.1
[M+NH4]+ 377.18595 194.4
[M+K]+ 398.11529 190.3
[M-H]- 358.14485 186.7
[M+Na-2H]- 380.12680 192.8
[M]+ 359.15158 189.6
[M]- 359.15268 189.6
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.