CID 89356

20591-23-5

Structural Information

Molecular Formula
C25H25N2
SMILES
CCN1C(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C=CC4=CC=CC=C41
InChI
InChI=1S/C25H25N2/c1-3-26-19-18-20(23-13-6-8-15-25(23)26)11-9-12-22-17-16-21-10-5-7-14-24(21)27(22)4-2/h5-19H,3-4H2,1-2H3/q+1
InChIKey
ONKAXOHRKIYFDJ-UHFFFAOYSA-N
Compound name
1-ethyl-2-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

353.20178 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20906 194.6
[M+Na]+ 376.19100 201.8
[M-H]- 352.19450 199.4
[M+NH4]+ 371.23560 206.3
[M+K]+ 392.16494 187.0
[M+H-H2O]+ 336.19904 185.5
[M+HCOO]- 398.19998 210.0
[M+CH3COO]- 412.21563 211.0
[M+Na-2H]- 374.17645 200.4
[M]+ 353.20123 192.6
[M]- 353.20233 192.6
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