CID 5051293

74439-18-2

Structural Information

Molecular Formula
C18H15N2O
SMILES
C1=CC=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H15N2O/c21-18(16-9-5-2-6-10-16)13-20-12-11-17(19-14-20)15-7-3-1-4-8-15/h1-12,14H,13H2/q+1
InChIKey
RFSJLPFCFNHJAT-UHFFFAOYSA-N
Compound name
1-phenyl-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11844 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12572 167.7
[M+Na]+ 298.10766 174.2
[M-H]- 274.11116 174.5
[M+NH4]+ 293.15226 179.6
[M+K]+ 314.08160 163.1
[M+H-H2O]+ 258.11570 159.5
[M+HCOO]- 320.11664 188.0
[M+CH3COO]- 334.13229 192.0
[M+Na-2H]- 296.09311 176.2
[M]+ 275.11789 165.4
[M]- 275.11899 165.4
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.