CID 365414

Nsc633034

Structural Information

Molecular Formula
C36H30N8O6S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)C
InChI
InChI=1S/C36H30N8O6S2/c1-21-19-22(2)38-36(37-21)44-52(48,49)27-17-13-25(14-18-27)40-35(45)30-9-6-8-29-33(28-7-4-5-10-31(28)41-34(29)30)39-24-11-15-26(16-12-24)51(46,47)43-32-20-23(3)50-42-32/h4-20H,1-3H3,(H,39,41)(H,40,45)(H,42,43)(H,37,38,44)
InChIKey
SNRBRXGPLAOXTB-UHFFFAOYSA-N
Compound name
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

734.173 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.18028 256.7
[M+Na]+ 757.16222 262.5
[M-H]- 733.16572 269.2
[M+NH4]+ 752.20682 249.7
[M+K]+ 773.13616 257.2
[M+H-H2O]+ 717.17026 246.1
[M+HCOO]- 779.17120 264.4
[M+CH3COO]- 793.18685 259.7
[M+Na-2H]- 755.14767 264.4
[M]+ 734.17245 263.1
[M]- 734.17355 263.1
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.