CID 5934891

Nsc231984

Structural Information

Molecular Formula
C32H34NO6
SMILES
C[N+]1=C(C=C(C2=CC=CC=C21)/C=C/C3=C(C=C(C=C3OC)OC)OC)/C=C/C4=C(C=C(C=C4OC)OC)OC
InChI
InChI=1S/C32H34NO6/c1-33-22(13-15-27-31(38-6)19-24(35-3)20-32(27)39-7)16-21(25-10-8-9-11-28(25)33)12-14-26-29(36-4)17-23(34-2)18-30(26)37-5/h8-20H,1-7H3/q+1/b14-12+,15-13+
InChIKey
VTFLLPQVYRMIBD-QUMQEAAQSA-N
Compound name
1-methyl-2,4-bis[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.2386 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.24588 241.7
[M+Na]+ 551.22782 249.2
[M-H]- 527.23132 251.2
[M+NH4]+ 546.27242 246.7
[M+K]+ 567.20176 238.6
[M+H-H2O]+ 511.23586 230.7
[M+HCOO]- 573.23680 259.2
[M+CH3COO]- 587.25245 244.9
[M+Na-2H]- 549.21327 241.1
[M]+ 528.23805 251.4
[M]- 528.23915 251.4
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.