CID 385789

Nsc677183

Structural Information

Molecular Formula
C36H31N9O6S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)C
InChI
InChI=1S/C36H31N9O6S2/c1-21-19-22(2)38-36(37-21)45-53(49,50)27-17-13-25(14-18-27)41-42-34-28-7-4-5-10-31(28)40-33-29(34)8-6-9-30(33)35(46)39-24-11-15-26(16-12-24)52(47,48)44-32-20-23(3)51-43-32/h4-20,41H,1-3H3,(H,39,46)(H,40,42)(H,43,44)(H,37,38,45)
InChIKey
RLASFVDLAOZBDZ-UHFFFAOYSA-N
Compound name
9-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

749.1839 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 750.19118 257.3
[M+Na]+ 772.17312 270.5
[M-H]- 748.17662 256.1
[M+NH4]+ 767.21772 262.9
[M+K]+ 788.14706 259.1
[M+H-H2O]+ 732.18116 240.5
[M+HCOO]- 794.18210 263.8
[M+CH3COO]- 808.19775 266.8
[M+Na-2H]- 770.15857 271.2
[M]+ 749.18335 300.8
[M]- 749.18445 300.8
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.