CID 210974

22019-22-3

Structural Information

Molecular Formula
C25H27NO2
SMILES
CC(C)N(CC#CCC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C25H27NO2/c1-18(2)26(19(3)4)17-11-10-16-25(20-12-6-5-7-13-20)23(27)21-14-8-9-15-22(21)24(25)28/h5-9,12-15,18-19H,16-17H2,1-4H3
InChIKey
CMJICBJAHFGMTJ-UHFFFAOYSA-N
Compound name
2-[4-[di(propan-2-yl)amino]but-2-ynyl]-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2042 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21148 190.7
[M+Na]+ 396.19342 201.9
[M+NH4]+ 391.23802 195.8
[M+K]+ 412.16736 191.1
[M-H]- 372.19692 186.5
[M+Na-2H]- 394.17887 193.9
[M]+ 373.20365 190.4
[M]- 373.20475 190.4
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.