CID 469021

6-chloro-9-(4-sulfamoylanilino)-n-(4-sulfamoylphenyl)acridine-4-carboxamide

Structural Information

Molecular Formula
C26H20ClN5O5S2
SMILES
C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)N=C4C=C(C=CC4=C2NC5=CC=C(C=C5)S(=O)(=O)N)Cl
InChI
InChI=1S/C26H20ClN5O5S2/c27-15-4-13-20-23(14-15)32-25-21(24(20)30-16-5-9-18(10-6-16)38(28,34)35)2-1-3-22(25)26(33)31-17-7-11-19(12-8-17)39(29,36)37/h1-14H,(H,30,32)(H,31,33)(H2,28,34,35)(H2,29,36,37)
InChIKey
CIXJADARGVSHIX-UHFFFAOYSA-N
Compound name
6-chloro-9-(4-sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.05945 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.06673 225.2
[M+Na]+ 604.04867 232.7
[M-H]- 580.05217 233.3
[M+NH4]+ 599.09327 228.5
[M+K]+ 620.02261 225.4
[M+H-H2O]+ 564.05671 216.7
[M+HCOO]- 626.05765 231.6
[M+CH3COO]- 640.07330 230.9
[M+Na-2H]- 602.03412 235.6
[M]+ 581.05890 230.4
[M]- 581.06000 230.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.