CID 5485635

Orthochrome t

Structural Information

Molecular Formula
C25H27N2
SMILES
CCN1/C(=C/C2=C3C=C(C=CC3=[N+](C=C2)CC)C)/C=CC4=C1C=CC(=C4)C
InChI
InChI=1S/C25H27N2/c1-5-26-14-13-20(23-16-19(4)8-12-25(23)26)17-22-10-9-21-15-18(3)7-11-24(21)27(22)6-2/h7-17H,5-6H2,1-4H3/q+1
InChIKey
KQBYHJFCDZUARI-UHFFFAOYSA-N
Compound name
(2E)-1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-4-yl)methylidene]-6-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21744 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22472 190.2
[M+Na]+ 378.20666 210.8
[M+NH4]+ 373.25126 200.8
[M+K]+ 394.18060 199.6
[M-H]- 354.21016 198.4
[M+Na-2H]- 376.19211 199.5
[M]+ 355.21689 196.3
[M]- 355.21799 196.3
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

No patent data available for this compound.