CID 71312376

108041-11-8

Structural Information

Molecular Formula
C29H26N2O2
SMILES
C1CCC(=N/N=C\2/C(C(=O)C3=CC=CC=C32)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)CC1
InChI
InChI=1S/C29H26N2O2/c32-28-24-19-11-10-18-23(24)27(31-30-22-16-8-3-9-17-22)26(28)29(33)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-2,4-7,10-15,18-19,25-26H,3,8-9,16-17H2/b31-27+
InChIKey
CULXSTLNPHOSFZ-TVKQRKNISA-N
Compound name
(3Z)-3-(cyclohexylidenehydrazinylidene)-2-(2,2-diphenylacetyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.19943 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20671 208.4
[M+Na]+ 457.18865 221.3
[M+NH4]+ 452.23325 216.7
[M+K]+ 473.16259 213.0
[M-H]- 433.19215 218.2
[M+Na-2H]- 455.17410 218.1
[M]+ 434.19888 212.9
[M]- 434.19998 212.9
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.