CID 5824186

25910-85-4

Structural Information

Molecular Formula
C20H19N2O3
SMILES
CCOC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C
InChI
InChI=1S/C20H19N2O3/c1-3-25-19-11-12-20-16(14-19)8-10-17(21(20)2)9-7-15-5-4-6-18(13-15)22(23)24/h4-14H,3H2,1-2H3/q+1/b9-7+
InChIKey
WXWWGVDAPPVUCU-VQHVLOKHSA-N
Compound name
6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

379
Patents

335.13956 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14684 184.8
[M+Na]+ 358.12878 191.4
[M-H]- 334.13228 191.2
[M+NH4]+ 353.17338 196.6
[M+K]+ 374.10272 176.4
[M+H-H2O]+ 318.13682 182.0
[M+HCOO]- 380.13776 205.8
[M+CH3COO]- 394.15341 200.7
[M+Na-2H]- 356.11423 192.9
[M]+ 335.13901 184.4
[M]- 335.14011 184.4
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

patents stripe