CID 5354516

(3z)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one

Structural Information

Molecular Formula
C26H22N2O2
SMILES
CC(=N/N=C\1/C(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/b28-24+
InChIKey
AGSDZTBXEYDVJT-ZZIIXHQDSA-N
Compound name
(3Z)-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 196.9
[M+Na]+ 417.15734 210.0
[M+NH4]+ 412.20194 204.7
[M+K]+ 433.13128 203.0
[M-H]- 393.16084 204.6
[M+Na-2H]- 415.14279 205.8
[M]+ 394.16757 200.9
[M]- 394.16867 200.9
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.