CID 16727671

Benzhydrylidene[?]dione

Structural Information

Molecular Formula
C22H17NO2
SMILES
C1=CC=C(C=C1)C(=C2[C@@H]3C=C[C@H]2C4C3C(=O)NC4=O)C5=CC=CC=C5
InChI
InChI=1S/C22H17NO2/c24-21-19-15-11-12-16(20(19)22(25)23-21)18(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15-16,19-20H,(H,23,24,25)/t15-,16+,19?,20?
InChIKey
ODKPPTNSWUILNH-BANKROOTSA-N
Compound name
(1R,7S)-10-benzhydrylidene-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

327.12592 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13320 178.7
[M+Na]+ 350.11514 186.2
[M-H]- 326.11864 187.2
[M+NH4]+ 345.15974 198.2
[M+K]+ 366.08908 179.0
[M+H-H2O]+ 310.12318 172.6
[M+HCOO]- 372.12412 196.3
[M+CH3COO]- 386.13977 189.4
[M+Na-2H]- 348.10059 175.4
[M]+ 327.12537 176.3
[M]- 327.12647 176.3
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.