CID 135534375

Nsc 79541

Structural Information

Molecular Formula
C21H17N2O
SMILES
C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=C4C=CC=NC4=C(C=C3)O
InChI
InChI=1S/C21H16N2O/c1-23-17(12-9-16-5-2-3-7-19(16)23)11-8-15-10-13-20(24)21-18(15)6-4-14-22-21/h2-14H,1H3/p+1
InChIKey
ILWMWXFOBAZROG-UHFFFAOYSA-O
Compound name
5-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1341 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14138 179.2
[M+Na]+ 336.12332 189.4
[M-H]- 312.12682 184.5
[M+NH4]+ 331.16792 192.1
[M+K]+ 352.09726 175.6
[M+H-H2O]+ 296.13136 171.4
[M+HCOO]- 358.13230 197.5
[M+CH3COO]- 372.14795 199.8
[M+Na-2H]- 334.10877 189.1
[M]+ 313.13355 179.4
[M]- 313.13465 179.4
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.