CID 68367

550-15-2

Structural Information

Molecular Formula
C24H24N3
SMILES
CCN1C(=CC2=[N+](C(=NC(=C2)C)C3=CC=CC=C3)C)C=CC4=CC=CC=C41
InChI
InChI=1S/C24H24N3/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20/h5-17H,4H2,1-3H3/q+1
InChIKey
UBRISJAVIYTNDW-UHFFFAOYSA-N
Compound name
2-[(3,6-dimethyl-2-phenylpyrimidin-3-ium-4-yl)methylidene]-1-ethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

19
Patents

354.19702 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20430 189.2
[M+Na]+ 377.18624 210.3
[M+NH4]+ 372.23084 198.9
[M+K]+ 393.16018 199.4
[M-H]- 353.18974 198.0
[M+Na-2H]- 375.17169 201.0
[M]+ 354.19647 195.5
[M]- 354.19757 195.5
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

patents stripe