CID 223898

6287-79-2

Structural Information

Molecular Formula
C26H22N2O2
SMILES
CC(=NN=C1C(C(=O)C2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C26H22N2O2/c1-17(2)27-28-24-20-15-9-10-16-21(20)25(29)23(24)26(30)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,22-23H,1-2H3
InChIKey
AGSDZTBXEYDVJT-UHFFFAOYSA-N
Compound name
2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.16812 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17540 197.3
[M+Na]+ 417.15734 201.8
[M-H]- 393.16084 209.9
[M+NH4]+ 412.20194 210.9
[M+K]+ 433.13128 196.7
[M+H-H2O]+ 377.16538 187.2
[M+HCOO]- 439.16632 220.9
[M+CH3COO]- 453.18197 232.1
[M+Na-2H]- 415.14279 196.8
[M]+ 394.16757 197.3
[M]- 394.16867 197.3
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.