CID 409035

Nsc17788

Structural Information

Molecular Formula
C21H18NO
SMILES
C=CC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H18NO/c1-2-17-12-14-22(15-13-17)16-21(23)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h2-15H,1,16H2/q+1
InChIKey
QSMKMXGOKLEQBP-UHFFFAOYSA-N
Compound name
2-(4-ethenylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13882 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14610 176.4
[M+Na]+ 323.12804 182.9
[M-H]- 299.13154 184.5
[M+NH4]+ 318.17264 188.9
[M+K]+ 339.10198 170.8
[M+H-H2O]+ 283.13608 168.8
[M+HCOO]- 345.13702 197.3
[M+CH3COO]- 359.15267 198.4
[M+Na-2H]- 321.11349 182.2
[M]+ 300.13827 174.4
[M]- 300.13937 174.4
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.