CID 153758

Benzenesulfonamide, o-(9-acridinylamino)-, hydrochloride, hemihydrate

Structural Information

Molecular Formula
C19H15N3O2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=CC=C4S(=O)(=O)N
InChI
InChI=1S/C19H15N3O2S/c20-25(23,24)18-12-6-5-11-17(18)22-19-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)19/h1-12H,(H,21,22)(H2,20,23,24)
InChIKey
UDPTYTXIKGOSRI-UHFFFAOYSA-N
Compound name
2-(acridin-9-ylamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

349.0885 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09578 177.1
[M+Na]+ 372.07772 187.1
[M-H]- 348.08122 184.2
[M+NH4]+ 367.12232 190.4
[M+K]+ 388.05166 179.9
[M+H-H2O]+ 332.08576 168.4
[M+HCOO]- 394.08670 194.8
[M+CH3COO]- 408.10235 187.9
[M+Na-2H]- 370.06317 186.9
[M]+ 349.08795 179.4
[M]- 349.08905 179.4
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.