CID 195393

10-methyl-9-(phenoxycarbonyl)acridinium fluorosulfonate

Structural Information

Molecular Formula
C21H16NO2
SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC=C4
InChI
InChI=1S/C21H16NO2/c1-22-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)22)21(23)24-15-9-3-2-4-10-15/h2-14H,1H3/q+1
InChIKey
RXNXLAHQOVLMIE-UHFFFAOYSA-N
Compound name
phenyl 10-methylacridin-10-ium-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18558
Patents

314.1181 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12538 177.8
[M+Na]+ 337.10732 186.9
[M-H]- 313.11082 185.5
[M+NH4]+ 332.15192 192.1
[M+K]+ 353.08126 175.4
[M+H-H2O]+ 297.11536 170.2
[M+HCOO]- 359.11630 198.0
[M+CH3COO]- 373.13195 201.3
[M+Na-2H]- 335.09277 187.5
[M]+ 314.11755 179.5
[M]- 314.11865 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe