CID 5908158

Nsc194806

Structural Information

Molecular Formula
C20H19NO4
SMILES
COC1=CC(=C(C(=C1)OC)/C=C/C2=[N+](C3=CC=CC=C3C=C2)[O-])OC
InChI
InChI=1S/C20H19NO4/c1-23-16-12-19(24-2)17(20(13-16)25-3)11-10-15-9-8-14-6-4-5-7-18(14)21(15)22/h4-13H,1-3H3/b11-10+
InChIKey
ZUEXNIHRGLXBRE-ZHACJKMWSA-N
Compound name
1-oxido-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 182.1
[M+Na]+ 360.12062 190.5
[M-H]- 336.12412 187.5
[M+NH4]+ 355.16522 194.5
[M+K]+ 376.09456 180.9
[M+H-H2O]+ 320.12866 177.2
[M+HCOO]- 382.12960 202.4
[M+CH3COO]- 396.14525 203.1
[M+Na-2H]- 358.10607 187.9
[M]+ 337.13085 185.1
[M]- 337.13195 185.1
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.