CID 385782

Nsc677176

Structural Information

Molecular Formula
C30H24N8O5S2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)NNC6=CC=C(C=C6)S(=O)(=O)N
InChI
InChI=1S/C30H24N8O5S2/c31-44(40,41)21-13-11-20(12-14-21)36-37-28-23-5-1-2-8-26(23)35-27-24(28)6-3-7-25(27)29(39)34-19-9-15-22(16-10-19)45(42,43)38-30-32-17-4-18-33-30/h1-18,36H,(H,34,39)(H,35,37)(H2,31,40,41)(H,32,33,38)
InChIKey
RDLRTYNDVNFVKL-UHFFFAOYSA-N
Compound name
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-9-[2-(4-sulfamoylphenyl)hydrazinyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.1311 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.13838 228.5
[M+Na]+ 663.12032 233.2
[M-H]- 639.12382 236.6
[M+NH4]+ 658.16492 225.0
[M+K]+ 679.09426 225.8
[M+H-H2O]+ 623.12836 217.5
[M+HCOO]- 685.12930 238.3
[M+CH3COO]- 699.14495 232.1
[M+Na-2H]- 661.10577 244.9
[M]+ 640.13055 230.1
[M]- 640.13165 230.1
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.