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]+ 358.167576 192.7
[M+Na]+ 380.149518 202.5
[M-H]- 356.153024 197.8
[M+NH4]+ 375.194123 203.8
[M+K]+ 396.123458 189.0
[M+H-H2O]+ 340.157560 184.2
[M+HCOO]- 402.158501 210.2
[M+CH3COO]- 416.174151 208.8
[M+Na-2H]- 378.134966 200.7
[M]+ 357.15975142 195.1
[M]- 357.16084858 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.