CID 14345458

Acrolein, daih derivative

Structural Information

Molecular Formula
C26H20N2O2
SMILES
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/C26H20N2O2/c1-2-17-27-28-24-20-15-9-10-16-21(20)25(29)23(24)26(30)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h2-17,22-23H,1H2/b27-17+,28-24+
InChIKey
DZDKTKPIBKYPSR-ZBJQCLPLSA-N
Compound name
(3Z)-2-(2,2-diphenylacetyl)-3-[(E)-prop-2-enylidenehydrazinylidene]inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.15247 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15975 196.4
[M+Na]+ 415.14169 201.5
[M-H]- 391.14519 208.8
[M+NH4]+ 410.18629 210.0
[M+K]+ 431.11563 195.1
[M+H-H2O]+ 375.14973 186.0
[M+HCOO]- 437.15067 221.1
[M+CH3COO]- 451.16632 230.5
[M+Na-2H]- 413.12714 196.9
[M]+ 392.15192 196.2
[M]- 392.15302 196.2
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.