CID 75463

1,1'-diethyl-2,2'-cyanine iodide

Structural Information

Molecular Formula
C23H23N2
SMILES
CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41
InChI
InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1
InChIKey
AGJZCWVTGOVGBS-UHFFFAOYSA-N
Compound name
1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

85
References

175
Patents

327.18613 Da
Monoisotopic Mass

5.6
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

literature stripe

Patent stripe

patents stripe