CID 16728410

Benzhydrylidene(2-dimethylaminoethyl)[?]dione

Structural Information

Molecular Formula
C26H26N2O2
SMILES
CN(C)CCN1C(=O)C2C3C=CC(C2C1=O)C3=C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H26N2O2/c1-27(2)15-16-28-25(29)23-19-13-14-20(24(23)26(28)30)22(19)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,19-20,23-24H,15-16H2,1-2H3
InChIKey
JDTIMRHFMIRWFS-UHFFFAOYSA-N
Compound name
10-benzhydrylidene-4-[2-(dimethylamino)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

398.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20671 199.8
[M+Na]+ 421.18865 205.6
[M-H]- 397.19215 210.4
[M+NH4]+ 416.23325 217.4
[M+K]+ 437.16259 199.9
[M+H-H2O]+ 381.19669 192.6
[M+HCOO]- 443.19763 218.8
[M+CH3COO]- 457.21328 209.6
[M+Na-2H]- 419.17410 194.2
[M]+ 398.19888 201.1
[M]- 398.19998 201.1
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.