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]+ 328.193406 186.1
[M+Na]+ 350.175348 193.9
[M-H]- 326.178854 191.4
[M+NH4]+ 345.219953 198.9
[M+K]+ 366.149288 180.2
[M+H-H2O]+ 310.183390 177.4
[M+HCOO]- 372.184331 202.1
[M+CH3COO]- 386.199981 206.6
[M+Na-2H]- 348.160796 193.1
[M]+ 327.18558142 184.3
[M]- 327.18667858 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