CID 2865348

Cbmicro_029404

Structural Information

Molecular Formula
C20H16N4O4S
SMILES
CC1=C2C(=CC=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C20H16N4O4S/c1-12-3-2-4-17-19(12)23-18-11-14(24(25)26)7-10-16(18)20(17)22-13-5-8-15(9-6-13)29(21,27)28/h2-11H,1H3,(H,22,23)(H2,21,27,28)
InChIKey
BNEUZPNFBPTYGG-UHFFFAOYSA-N
Compound name
4-[(5-methyl-3-nitroacridin-9-yl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

408.08923 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09651 188.4
[M+Na]+ 431.07845 195.9
[M-H]- 407.08195 195.4
[M+NH4]+ 426.12305 197.9
[M+K]+ 447.05239 185.5
[M+H-H2O]+ 391.08649 183.2
[M+HCOO]- 453.08743 205.9
[M+CH3COO]- 467.10308 221.3
[M+Na-2H]- 429.06390 199.2
[M]+ 408.08868 189.5
[M]- 408.08978 189.5
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

No patent data available for this compound.