CID 4193575

1,1'-diethyl-4,4'-cyanine iodide

Structural Information

Molecular Formula
C23H23N2
SMILES
CCN1C=CC(=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41
InChI
InChI=1S/C23H23N2/c1-3-24-15-13-18(20-9-5-7-11-22(20)24)17-19-14-16-25(4-2)23-12-8-6-10-21(19)23/h5-17H,3-4H2,1-2H3/q+1
InChIKey
PBYSOAALDIVUSK-UHFFFAOYSA-N
Compound name
1-ethyl-4-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

327.18613 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19341 186.1
[M+Na]+ 350.17535 193.9
[M-H]- 326.17885 191.4
[M+NH4]+ 345.21995 198.9
[M+K]+ 366.14929 180.2
[M+H-H2O]+ 310.18339 177.4
[M+HCOO]- 372.18433 202.1
[M+CH3COO]- 386.19998 206.6
[M+Na-2H]- 348.16080 193.1
[M]+ 327.18558 184.3
[M]- 327.18668 184.3
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