CID 135483953

Nsc86371

Structural Information

Molecular Formula
C23H21N2O
SMILES
CC1=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/C23H20N2O/c1-15-6-11-21-17(13-15)7-9-19(25(21)3)10-8-18-14-16(2)20-5-4-12-24-22(20)23(18)26/h4-14H,1-3H3/p+1
InChIKey
BKZBDFLHSRXTPU-UHFFFAOYSA-O
Compound name
7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16537 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17265 189.5
[M+Na]+ 364.15459 200.5
[M-H]- 340.15809 195.1
[M+NH4]+ 359.19919 201.8
[M+K]+ 380.12853 186.4
[M+H-H2O]+ 324.16263 181.6
[M+HCOO]- 386.16357 206.9
[M+CH3COO]- 400.17922 208.0
[M+Na-2H]- 362.14004 196.8
[M]+ 341.16482 191.1
[M]- 341.16592 191.1
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.