CID 75463

977-96-8

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

740
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 180.5
[M+Na]+ 350.17535 200.8
[M+NH4]+ 345.21995 191.4
[M+K]+ 366.14929 189.6
[M-H]- 326.17885 188.6
[M+Na-2H]- 348.16080 190.8
[M]+ 327.18558 186.5
[M]- 327.18668 186.5
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