CID 105625

67800-88-8

Structural Information

Molecular Formula
C23H25N2O2Se
SMILES
CCN1C2=C(C=CC(=C2)OC)[Se]C1=CC3=[N+](C4=C(C=C3)C=C(C=C4)OC)CC
InChI
InChI=1S/C23H25N2O2Se/c1-5-24-17(8-7-16-13-18(26-3)9-11-20(16)24)14-23-25(6-2)21-15-19(27-4)10-12-22(21)28-23/h7-15H,5-6H2,1-4H3/q+1
InChIKey
MVSLFFQIYFCHNP-UHFFFAOYSA-N
Compound name
3-ethyl-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzoselenazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.10812 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.11540 210.7
[M+Na]+ 464.09734 218.9
[M-H]- 440.10084 216.4
[M+NH4]+ 459.14194 223.3
[M+K]+ 480.07128 206.2
[M+H-H2O]+ 424.10538 202.5
[M+HCOO]- 486.10632 226.9
[M+CH3COO]- 500.12197 217.8
[M+Na-2H]- 462.08279 211.9
[M]+ 441.10757 213.6
[M]- 441.10867 213.6
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.