CID 14345457

101228-21-1

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-CVLCBGMDSA-N
Compound name
(3Z)-2-(2,2-diphenylacetyl)-3-[(E)-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 192.7
[M+Na]+ 403.14169 198.1
[M-H]- 379.14519 205.4
[M+NH4]+ 398.18629 207.0
[M+K]+ 419.11563 192.5
[M+H-H2O]+ 363.14973 182.5
[M+HCOO]- 425.15067 217.7
[M+CH3COO]- 439.16632 228.3
[M+Na-2H]- 401.12714 193.8
[M]+ 380.15192 192.9
[M]- 380.15302 192.9
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.