CID 135429828

Nsc 85701

Structural Information

Molecular Formula
C23H21N2O2
SMILES
CCOC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=C4C=CC=NC4=C(C=C3)O)C
InChI
InChI=1S/C23H20N2O2/c1-3-27-19-11-12-21-17(15-19)7-10-18(25(21)2)9-6-16-8-13-22(26)23-20(16)5-4-14-24-23/h4-15H,3H2,1-2H3/p+1
InChIKey
FCFDWEARFQCYEH-UHFFFAOYSA-O
Compound name
5-[(E)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1603 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16758 192.7
[M+Na]+ 380.14952 202.5
[M-H]- 356.15302 197.8
[M+NH4]+ 375.19412 203.8
[M+K]+ 396.12346 189.0
[M+H-H2O]+ 340.15756 184.2
[M+HCOO]- 402.15850 210.2
[M+CH3COO]- 416.17415 208.8
[M+Na-2H]- 378.13497 200.7
[M]+ 357.15975 195.1
[M]- 357.16085 195.1
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.