CID 16728411

Benzhydrylidene(2-diethylaminoethyl)[?]dione

Structural Information

Molecular Formula
C28H30N2O2
SMILES
CCN(CC)CCN1C(=O)C2C3C=CC(C2C1=O)C3=C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H30N2O2/c1-3-29(4-2)17-18-30-27(31)25-21-15-16-22(26(25)28(30)32)24(21)23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,21-22,25-26H,3-4,17-18H2,1-2H3
InChIKey
URQGIHBUZSZLKQ-UHFFFAOYSA-N
Compound name
10-benzhydrylidene-4-[2-(diethylamino)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.23802 208.9
[M+Na]+ 449.21996 213.7
[M-H]- 425.22346 219.0
[M+NH4]+ 444.26456 225.3
[M+K]+ 465.19390 207.6
[M+H-H2O]+ 409.22800 201.2
[M+HCOO]- 471.22894 227.1
[M+CH3COO]- 485.24459 217.7
[M+Na-2H]- 447.20541 202.2
[M]+ 426.23019 210.8
[M]- 426.23129 210.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.