CID 126455883

Crotonaldehyde, daih derivative

Structural Information

Molecular Formula
C27H22N2O2
SMILES
C/C=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/C27H22N2O2/c1-2-3-18-28-29-25-21-16-10-11-17-22(21)26(30)24(25)27(31)23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h2-18,23-24H,1H3/b3-2+,28-18-,29-25-
InChIKey
HYQCUKOHQHEHJH-VIMAAWAISA-N
Compound name
(3E)-3-[(Z)-[(E)-but-2-enylidene]hydrazinylidene]-2-(2,2-diphenylacetyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.16812 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17540 201.3
[M+Na]+ 429.15734 214.6
[M+NH4]+ 424.20194 208.7
[M+K]+ 445.13128 206.4
[M-H]- 405.16084 208.8
[M+Na-2H]- 427.14279 210.1
[M]+ 406.16757 205.2
[M]- 406.16867 205.2
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.