CID 5861095

1-methyl-2-(2-(2,4,6-trimethoxyphenyl)ethenyl)quinolinium iodide

Structural Information

Molecular Formula
C21H22NO3
SMILES
C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=C(C=C(C=C3OC)OC)OC
InChI
InChI=1S/C21H22NO3/c1-22-16(10-9-15-7-5-6-8-19(15)22)11-12-18-20(24-3)13-17(23-2)14-21(18)25-4/h5-14H,1-4H3/q+1/b12-11+
InChIKey
HNYCJVFMCMJALP-VAWYXSNFSA-N
Compound name
1-methyl-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.15997 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16725 185.2
[M+Na]+ 359.14919 194.3
[M-H]- 335.15269 192.1
[M+NH4]+ 354.19379 198.7
[M+K]+ 375.12313 183.8
[M+H-H2O]+ 319.15723 178.2
[M+HCOO]- 381.15817 205.7
[M+CH3COO]- 395.17382 206.9
[M+Na-2H]- 357.13464 191.0
[M]+ 336.15942 189.8
[M]- 336.16052 189.8
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

patents stripe