CID 53311

Brn 5112845

Structural Information

Molecular Formula
C20H16N2O2S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H16N2O2S/c1-25(23,24)15-12-10-14(11-13-15)21-20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20/h2-13H,1H3,(H,21,22)
InChIKey
NUWGTTGEQBXVJY-UHFFFAOYSA-N
Compound name
N-(4-methylsulfonylphenyl)acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

348.09326 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10054 179.3
[M+Na]+ 371.08248 189.7
[M-H]- 347.08598 186.9
[M+NH4]+ 366.12708 193.2
[M+K]+ 387.05642 182.7
[M+H-H2O]+ 331.09052 170.4
[M+HCOO]- 393.09146 196.2
[M+CH3COO]- 407.10711 190.4
[M+Na-2H]- 369.06793 188.4
[M]+ 348.09271 183.3
[M]- 348.09381 183.3
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

No patent data available for this compound.