CID 105195

65294-08-8

Structural Information

Molecular Formula
C25H27N2Se
SMILES
CCCC[N+]1=CC=C(C2=CC=CC=C21)C=CC=C3N(C4=CC=CC=C4[Se]3)CC
InChI
InChI=1S/C25H27N2Se/c1-3-5-18-26-19-17-20(21-12-6-7-13-22(21)26)11-10-16-25-27(4-2)23-14-8-9-15-24(23)28-25/h6-17,19H,3-5,18H2,1-2H3/q+1
InChIKey
JTGWKRRVZTVZPM-UHFFFAOYSA-N
Compound name
2-[3-(1-butylquinolin-1-ium-4-yl)prop-2-enylidene]-3-ethyl-1,3-benzoselenazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.13394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.14122 211.9
[M+Na]+ 458.12316 218.2
[M-H]- 434.12666 216.4
[M+NH4]+ 453.16776 224.3
[M+K]+ 474.09710 203.0
[M+H-H2O]+ 418.13120 203.0
[M+HCOO]- 480.13214 227.3
[M+CH3COO]- 494.14779 215.8
[M+Na-2H]- 456.10861 213.0
[M]+ 435.13339 211.1
[M]- 435.13449 211.1
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.