CID 135429829

Nsc 86372

Structural Information

Molecular Formula
C24H23N2O2
SMILES
CCOC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=C(C4=C(C=CC=N4)C(=C3)C)O)C
InChI
InChI=1S/C24H22N2O2/c1-4-28-20-11-12-22-17(15-20)7-9-19(26(22)3)10-8-18-14-16(2)21-6-5-13-25-23(21)24(18)27/h5-15H,4H2,1-3H3/p+1
InChIKey
VWLPEJSPURQONM-UHFFFAOYSA-O
Compound name
7-[(E)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17596 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18324 197.8
[M+Na]+ 394.16518 208.0
[M-H]- 370.16868 203.2
[M+NH4]+ 389.20978 208.7
[M+K]+ 410.13912 194.5
[M+H-H2O]+ 354.17322 189.3
[M+HCOO]- 416.17416 214.9
[M+CH3COO]- 430.18981 213.0
[M+Na-2H]- 392.15063 204.6
[M]+ 371.17541 201.0
[M]- 371.17651 201.0
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.