CID 16728036

Chembl4522909

Structural Information

Molecular Formula
C19H14N2O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)C4=CC=CC=C43
InChI
InChI=1S/C19H14N2O3S/c22-19-16-9-5-4-8-15(16)17-12-13(10-11-18(17)20-19)21-25(23,24)14-6-2-1-3-7-14/h1-12,21H,(H,20,22)
InChIKey
WZMUHFVSOAQMFA-UHFFFAOYSA-N
Compound name
N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

350.0725 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07978 177.2
[M+Na]+ 373.06172 187.6
[M-H]- 349.06522 183.6
[M+NH4]+ 368.10632 190.2
[M+K]+ 389.03566 180.1
[M+H-H2O]+ 333.06976 168.8
[M+HCOO]- 395.07070 193.4
[M+CH3COO]- 409.08635 187.9
[M+Na-2H]- 371.04717 186.9
[M]+ 350.07195 180.0
[M]- 350.07305 180.0
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