CID 169045189

9-(2,6-dimethylphenyl)-2-ethoxy-6-methoxy-10-methylacridinium tetrafluoroborate

Structural Information

Molecular Formula
C25H26NO2
SMILES
CCOC1=CC2=C(C3=C(C=C(C=C3)OC)[N+](=C2C=C1)C)C4=C(C=CC=C4C)C
InChI
InChI=1S/C25H26NO2/c1-6-28-19-11-13-22-21(14-19)25(24-16(2)8-7-9-17(24)3)20-12-10-18(27-5)15-23(20)26(22)4/h7-15H,6H2,1-5H3/q+1
InChIKey
VITZWXSLUHRFNK-UHFFFAOYSA-N
Compound name
9-(2,6-dimethylphenyl)-2-ethoxy-6-methoxy-10-methylacridin-10-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

372.19635 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20363 198.8
[M+Na]+ 395.18557 209.6
[M-H]- 371.18907 207.1
[M+NH4]+ 390.23017 212.0
[M+K]+ 411.15951 197.7
[M+H-H2O]+ 355.19361 190.7
[M+HCOO]- 417.19455 218.2
[M+CH3COO]- 431.21020 218.3
[M+Na-2H]- 393.17102 204.4
[M]+ 372.19580 204.7
[M]- 372.19690 204.7
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