CID 365422

Nsc633042

Structural Information

Molecular Formula
C36H29ClN8O6S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C4=C(C5=CC=CC=C5N=C34)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)Cl)C
InChI
InChI=1S/C36H29ClN8O6S2/c1-20-18-21(2)39-36(38-20)45-53(49,50)26-14-10-24(11-15-26)41-35(46)28-16-17-29(37)32-33(27-6-4-5-7-30(27)42-34(28)32)40-23-8-12-25(13-9-23)52(47,48)44-31-19-22(3)51-43-31/h4-19H,1-3H3,(H,40,42)(H,41,46)(H,43,44)(H,38,39,45)
InChIKey
GUCDEDOURGCGRO-UHFFFAOYSA-N
Compound name
1-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

768.134 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.14128 262.7
[M+Na]+ 791.12322 269.5
[M-H]- 767.12672 275.6
[M+NH4]+ 786.16782 255.7
[M+K]+ 807.09716 264.5
[M+H-H2O]+ 751.13126 252.6
[M+HCOO]- 813.13220 266.3
[M+CH3COO]- 827.14785 265.6
[M+Na-2H]- 789.10867 256.1
[M]+ 768.13345 272.2
[M]- 768.13455 272.2
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.