CID 126455856

Acetaldehyde, daih derivative

Structural Information

Molecular Formula
C25H20N2O2
SMILES
C/C=N\N=C\1/C(C(=O)C2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H20N2O2/c1-2-26-27-23-19-15-9-10-16-20(19)24(28)22(23)25(29)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h2-16,21-22H,1H3/b26-2-,27-23-
InChIKey
IKWSJQIXRGFICA-GCPPJLEVSA-N
Compound name
(3E)-2-(2,2-diphenylacetyl)-3-[(Z)-ethylidenehydrazinylidene]inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.15247 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15975 193.3
[M+Na]+ 403.14169 206.9
[M+NH4]+ 398.18629 201.3
[M+K]+ 419.11563 199.3
[M-H]- 379.14519 201.1
[M+Na-2H]- 401.12714 202.7
[M]+ 380.15192 197.4
[M]- 380.15302 197.4
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.