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

26
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 195.8
[M+Na]+ 377.18624 204.0
[M-H]- 353.18974 202.1
[M+NH4]+ 372.23084 205.0
[M+K]+ 393.16018 189.6
[M+H-H2O]+ 337.19428 185.6
[M+HCOO]- 399.19522 211.5
[M+CH3COO]- 413.21087 211.6
[M+Na-2H]- 375.17169 200.9
[M]+ 354.19647 193.8
[M]- 354.19757 193.8
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