CID 6447370

Quinolinium, 8-hydroxy-1-methyl-2-styryl-, chloride

Structural Information

Molecular Formula
C18H16NO
SMILES
C[N+]1=C(C=CC2=C1C(=CC=C2)O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H15NO/c1-19-16(12-10-14-6-3-2-4-7-14)13-11-15-8-5-9-17(20)18(15)19/h2-13H,1H3/p+1/b12-10+
InChIKey
XMKOFXUYQBEOPS-ZRDIBKRKSA-O
Compound name
1-methyl-2-[(E)-2-phenylethenyl]quinolin-1-ium-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1232 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.130476 164.0
[M+Na]+ 285.112418 172.7
[M-H]- 261.115924 169.5
[M+NH4]+ 280.157023 179.5
[M+K]+ 301.086358 160.6
[M+H-H2O]+ 245.120460 158.3
[M+HCOO]- 307.121401 184.0
[M+CH3COO]- 321.137051 189.1
[M+Na-2H]- 283.097866 172.5
[M]+ 262.12265142 162.4
[M]- 262.12374858 162.4
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.